Electronic reprint available (PDF format)
Web link
Book
| (B01) | Metastable Liquids. Concepts and Principles. Princeton University Press, 1996. |
|
Edited Book
| (E01) | Supercritical Fluids. Fundamentals and Applications. E. Kiran, P.G. Debenedetti, and C.J. Peters, eds., NATO Science Series E: Applied Sciences. Vol. 366. Kluwer, 2000 |
Journal Articles
| (001) | P.G. Debenedetti and C.G.Vayenas, Steady State Analysis of High Temperature Fuel Cells. Chem. Eng. Sci., 38, 1817, 1983. | |
| (002) | P.G. Debenedetti, The Thermodynamic Fundamentals of Exergy. Chem. Eng. Ed., 18, 116, 1984. | |
| (003) | C.G. Vayenas, P.G. Debenedetti, I.V. Yentekakis and L.L. Hegedus, Cross-Flow, Solid-State Electrochemical Reactors: a Steady-State Analysis. Ind. Eng. Chem. Fund., 24, 316, 1985. | |
| (004) | P.G. Debenedetti, On the Relationship Between Principal Fluctuations and Stability Coefficients in Multicomponent Systems. J. Chem. Phys., 84, 1778, 1986. |
|
| (005) | P.G. Debenedetti and M. C. D'Antonio, On the Nature of the Tensile Instability in Metastable Liquids and its Relationship to Density Anomalies. J. Chem. Phys., 84, 3339, 1986. |
|
| (006) | P.G. Debenedetti, Generalized Massieu-Planck Functions: Geometric Representation, Extrema and Uniqueness Properties. J. Chem. Phys., 85, 2132, 1986. |
|
| (007) | P.G. Debenedetti and S. K. Kumar, Infinite Dilution Fugacity Coefficients and the General Behavior of Dilute Binary Systems. AIChEJ., 32, 1253, 1986. | |
| (008) | P.G. Debenedetti and R.C. Reid, Diffusion and Mass Transfer in Supercritical Fluids. AIChE J., 32, 2034, 1986. |
|
| (009) | P.G. Debenedetti and M.C. D'Antonio, On the Entropy Changes and Fluctuations Occurring Near a Tensile Instability. J. Chem. Phys., 85, 4005, 1986. |
|
| (010) | P.G. Debenedetti, Derivation of Operational Definitions for the Computer Calculation of Partial Molar Properties in Multicomponent Mixtures. Chem. Phys. Lett., 132, 325, 1986. | |
| (011) | M.C. D'Antonio and P.G. Debenedetti, Loss of Tensile Strength in Liquids Without Property Discontinuities: a Thermodynamic Analysis. J. Chem. Phys., 86, 2229, 1987. |
|
| (012) | P.G. Debenedetti, Fluctuation-based Computer Calculation of Partial Molar Properties . I . Molecular Dynamics Simulation of Constant Volume Fluctuations. J. Chem. Phys., 86, 7126, 1987. |
|
| (013) | P.G. Debenedetti, The Statistical Mechanical Theory of Concentration Fluctuations in Mixtures. J. Chem. Phys., 87, 1256, 1987. |
|
| (014) | P.G. Debenedetti, Clustering in Dilute, Binary Supercritical Mixtures: a Fluctuation Analysis. Chem. Eng. Sci., 42, 2203, 1987. | |
| (015) | P.G. Debenedetti, Fluctuation-based Computer Calculation of Partial Molar Properties. II. A Numerically Accurate Method for the Determination of Partial Molar Energies and Enthalpies. J. Chem. Phys., 88, 2681, 1988. |
|
| (016) | P.G. Debenedetti and M.C. D'Antonio, Stability and Tensile Strength of Liquids Exhibiting Density Maxima. AIChE Journal, 34, 447, 1988. | |
| (017) | P.G. Debenedetti and S.K. Kumar, The Molecular Basis of Temperature Effects in Supercritical Extraction. AIChEJ., 34, 645, 1988. | |
| (018) | N.A. Collins, P.G. Debenedetti and S.Sundaresan, Disproportionation of Toluene over ZSM-5 under Near-Critical Conditions. AIChEJ., 34, 1211, 1988. | |
| (019) | P.G. Debenedetti, Thermodynamic Stability of Single-Phase Fluids and Fluid Mixtures Under the Influence of Gravity. J. Chem. Phys., 89, 6881, 1988. |
|
| (020) | R.S. Mohamed P.G. Debenedetti and R.K. Prud'homme, Effects of Process Conditions on Crystals Obtained from the Rapid Expansion of Supercritical Mixtures. AIChE J., 35, 325, 1989. | |
| (021) | P.G. Debenedetti, Fluctuation Simulations and the Calculation of Mechanical Partial Molar Properties. Molecular Simulation, 2, 33, 1989. | |
| (022) | P.G. Debenedetti and R.S. Mohamed, Attractive, Weakly Attractive, and Repulsive Near-Critical Systems. J. Chem. Phys., 90, 4528, 1989. |
|
| (023) | I.V. Yentekakis, P.G. Debenedetti and B.Costa, A Novel Fused Metal Anode Solid Electrolyte Fuel Cell for Direct Coal Gasification: A Steady State Model. Ind. Eng. Chem. Res., 28, 1414, 1989. |
|
| (024) | I. B. Petsche and P.G. Debenedetti, Solute-Solvent Interactions in Infinitely Dilute Supercritical Mixtures: A Molecular Dynamics Investigation. J. Chem. Phys., 91, 7075, 1989. |
|
| (025) | A. A. Chialvo, D. L. Heath and P.G. Debenedetti, A Molecular Dynamics Study of the Influence of Elongation and Quadrupole Moment Upon Some Thermodynamic and Transport Properties of Linear Heteronuclear Triatomic Fluids. J. Chem. Phys., 91, 7818, 1989. |
|
| (026) | P.G. Debenedetti, I. B. Petsche and R.S. Mohamed, Clustering in Supercritical Mixtures: Theory, Applications and Simulations. Fluid Phase Equilibria, 52, 347, 1989. | |
| (027) | P.G. Debenedetti, Homogeneous Nucleation in Supercritical Fluids. AIChEJ., 36, 1289, 1990. | |
| (028) | A. A. Chialvo and P.G. Debenedetti , On the Use of the Verlet Neighbor List in Molecular Dynamics. Computer Phys . Commun., 60, 215, 1990. | |
| (029) | I. B. Petsche and P.G. Debenedetti , Influence of Solute-Solvent Asymmetry Upon the Behavior of Dilute Supercritical Mixtures. J. Phys. Chem., 95, 386, 1991. | |
| (030) | A. A. Chialvo and P.G. Debenedetti, On the Performance of an Automated Verlet Neighbor List Algorithm for Large Systems on a Vector Processor. Computer Phys. Commun., 64, 15, 1991. | |
| (031) | A. A. Chialvo and P.G. Debenedetti, Use of the McQuarrie Equation for the Computation of Shear Viscosity via Equilibrium Molecular Dynamics. Phys. Rev. A, 43, 4289, 1991. |
|
| (032) | P.G. Debenedetti, V. S. Raghavan and S. S. Borick, Spinodal Curve of Some Supercooled Liquids. J. Phys. Chem., 95, 4540, 1991. |
|
| (033) | J. W. Tom and P.G. Debenedetti, Particle Formation with Supercritical Fluids - A Review. J. Aerosol Sci., 22, 555, 1991. | |
| (034) | J.W. Tom and P.G. Debenedetti, Formation of Bioerodible Polymeric Microspheres and Microparticles by Rapid Expansion of Supercritical Solutions. Biotech.Prog., 7, 403, 1991. |
|
| (035) | A.A. Chialvo and P.G. Debenedetti, Study of Solute-Solvent Interactions at Infinite Dilution via the Coupling Parameter Approach. Molecular Simulation, 7, 265, 1991. | |
| (036) | A.A. Chialvo and P.G. Debenedetti, Molecular Dynamics Study of Solute-Solute Microstructure in Attractive and Repulsive Supercritical Mixtures. Ind. Eng. Chem. Res., 31, 1391, 1992. |
|
| (037) | P.G. Debenedetti and A. Chialvo, Solute-Solute Correlations in Infinitely Dilute Supercritical Mixtures. J. Chem. Phys., 97, 504, 1992. |
|
| (038) | A.A. Chialvo and P.G. Debenedetti, An Automated Verlet Neighbor List Algorithm with a Multiple Time Step Approach for the Simulation of Large Systems. Computer Phys. Commun., 70, 467, 1992. | |
| (039) | S.-D. Yeo, G.-B. Lim, P.G. Debenedetti and H. Bernstein, Formation of Microparticulate Protein Powders Using a Supercritical Anti-Solvent. Biotech. Bioeng., 41, 341, 1993. | |
| (040) | P.G. Debenedetti, J.W. Tom, X. Kwauk, and S.-D. Yeo, Rapid Expansion of Supercritical Solutions (RESS): Fundamentals and Applications. Fluid Phase Equil., 82, 311, 1993. | |
| (041) | P.G. Debenedetti, J.W. Tom, S-D. Yeo, and G-B. Lim, Application of Supercritical Fluids for the Production of Sustained Delivery Devices. J. Contr. Rel., 24, 27, 1993. | |
| (042) | S.S. Borick and P.G. Debenedetti, Equilibrium, Stability and Density Anomalies in a Lattice Model with Core-Softening and Directional Bonding. J. Phys. Chem., 97, 6292, 1993. |
|
| (043) | X. Kwauk and P.G. Debenedetti, Mathematical Modelling of Aerosol Formation by Rapid Expansion of Supercritical Solutions in a Converging Nozzle. J. Aerosol Sci., 34, 445, 1993. | |
| (044) | J.W. Tom and P.G. Debenedetti, Integral Equation Study of Microstructure and Solvation in Model Attractive and Repulsive Supercritical Mixtures. Ind. Eng. Chem. Res., 32, 2118, 1993. |
|
| (045) | S.-D. Yeo, P.G. Debenedetti, M. Radosz and H.-W. Schmidt, Supercritical Anti-Solvent (SAS) Process for Substituted Para-Linked Aromatic Polyamides: Phase Equilibrium and Morphology Study. Macromolecules, 26, 6207, 1993. |
|
| (046) | R.J. Speedy and P.G. Debenedetti, The Entropy of a Network Crystal, Fluid and Glass. Molec. Phys., 81, 237, 1994. | |
| (047) | J. W. Tom, P.G. Debenedetti and R. Jérome, Precipitation of Poly(L-lactic acid) and Composite Poly(L-lactic acid) - Pyrene Particles by Rapid Expansion of Supercritical Fluids. J. Supercrit. Fluids, 7, 9, 1994. | |
| (048) | A. Chakravarthi, P.G. Debenedetti, S. Sastry, and S.-D. Yeo, Thermal Expansion and Stability Limits of Generalized van der Waals Fluids. J. Phys. Chem., 98, 6876, 1994. |
|
| (049) | D.S. Corti and P.G. Debenedetti, A Computational Study of Metastability in Vapor-Liquid Equilibrium. Chem. Eng. Sci., 49, 2717, 1994. | |
| (050) | S.-D. Yeo, P.G. Debenedetti, S. Patro, and T.M. Przybycien, Secondary Structure Characterization of Microparticulate Insulin Powders. J. Pharm. Sci., 83, 1651, 1994. | |
| (051) | S.-D. Yeo, P.G. Debenedetti, M. Radosz, R. Giesa, and H.-W. Schmidt, Supercritical Anti-Solvent (SAS) Process for a Series of Substituted Para-Linked Aromatic Polyamides. Macromolecules, 28, 1316, 1995. |
|
| (052) | S.S. Borick, P.G. Debenedetti and S. Sastry, A Lattice Model of Network-Forming Fluids with Orientation-Dependent Bonding: Equilibrium, Stability, and Implications for the Phase Behavior of Supercooled Water. J. Phys. Chem., 99, 3781, 1995. |
|
| (053) | D.S. Corti and P.G. Debenedetti, Metastability and Constraints: a Study of the Superheated Lennard-Jones Liquid in the Void-Constrained Ensemble. Ind. & Eng. Chem. Res., 34, 3573, 1995. |
|
| (054) | R.J. Speedy and P.G. Debenedetti, Persistence Time for Bonds in a Tetravalent Network Fluid. Molec. Phys., 86, 1375, 1995. | |
| (055) | J.K. Taylor, P.G. Debenedetti, W.W. Graessley, and S.K. Kumar, Compressibility Effects in the Analysis and Interpretation of Neutron Scattering Data from Polymer Blends. Macromolecules, 29, 764, 1996. |
|
| (056) | M. Connolly, P.G. Debenedetti and H-H. Tung, Freeze Crystallization of Imipenem. J. Pharm. Sci., 85, 174, 1996. | |
| (057) | P.G. Debenedetti, M.M. Atakan and R.J. Speedy, Comment on "Entropy Catastrophe and Configurational Entropies in Supercooled and Superheated Regimes", by K. Kishore and H.K. Shobha. J. Chem. Phys., 104, 5349, 1996. |
|
| (058) | M.A. Winters, B.L. Knutson, P.G. Debenedetti, H.G. Sparks, T.M. Przybycien, C.L. Stevenson, and S.J. Prestrelski, Precipitation of Proteins in Supercritical Carbon Dioxide. J. Pharm. Sci., 85, 586, 1996. | |
| (059) | S. Sastry, P.G. Debenedetti, F. Sciortino, and H.E. Stanley, Singularity-Free Interpretation of the Thermodynamics of Supercooled Water. Phys. Rev. E, 53, 6144, 1996. |
|
| (060) | R.J. Speedy, P.G. Debenedetti, R.S. Smith, C. Huang and B.D. Kay, The Evaporation Rate, Free Energy, and Entropy of Amorphous Water at 150K. J. Chem. Phys., 105, 240, 1996. |
|
| (061) | M.A. Winters, P.G. Debenedetti, P.D. Condo, M. Radosz, and H.-W. Schmidt, Effects of Compressed Carbon Dioxide on the Phase Equilibrium and Molecular Order of a Lyotropic Polyamide Solution. Macromolecules, 29, 4904, 1996. |
|
| (062) | C.J. Roberts and P.G. Debenedetti, Polyamorphism and Density Anomalies in Network-Forming Fluids: Zeroth- and First-Order Approximations. J. Chem. Phys., 105, 658, 1996. |
|
| (063) | H. Inomata, S. Saito and P.G. Debenedetti, Molecular Dynamics Simulation of Infinitely Dilute Solutions of Benzene in Supercritical CO2. Fluid Phase Equil., 116, 282, 1996. | |
| (064) | R.J. Speedy and P.G. Debenedetti, The Distribution of Tetravalent Network Glasses. Molec. Phys., 88, 1293, 1996. | |
| (065) | C.A. Eckert, B.L. Knutson and P.G. Debenedetti, Supercritical Fluids as Solvents for Chemical and Materials Processing. Nature, 383, 313, 1996. | |
| (066) | C.J. Roberts, A.Z. Panagiotopoulos and P.G. Debenedetti, Liquid-Liquid Immiscibility in Pure Fluids: Polyamorphism in Simulations of a Network-Forming Fluid. Phys. Rev. Lett., 77, 4386, 1996. |
|
| (067) | D.S. Corti, P.G. Debenedetti, S. Sastry and F.H. Stillinger, Constraints, Metastability, and Inherent Structures in Liquids. Phys. Rev. E, 55, 5522, 1997. |
|
| (068) | M.A. Winters, P.G. Debenedetti, J. Carey, H.G. Sparks, S.U. Sane, and T.M. Przybycien, Long-Term and High-Temperature Storage of Supercritically-Processed Microparticulate Protein Powders. Pharm. Res., 14, 1370, 1997. | |
| (069) | S. Sastry, D.S. Corti, P.G. Debenedetti and F.H. Stillinger, Statistical Geometry of Particle Packings: I. Algorithm for Exact Determination of Connectivity, Volume and Surface Areas of Void Space in Mono- and Polydisperse Sphere Packings. Phys. Rev. E, 56, 5524, 1997. |
|
| (070) | S. Sastry, P.G. Debenedetti and F.H. Stillinger, Statistical Geometry of Particle Packings: II. 'Weak Spots' in Liquids. Phys. Rev. E, 56, 5533, 1997. |
|
| (071) | J.K. Taylor-Maranas, P.G. Debenedetti, W.W. Graessley, and S.K. Kumar, Compressibility Effects in Neutron Scattering by Polymer Blends. Macromolecules, 30, 6943, 1997. |
|
| (072) | P.G. Debenedetti and H. Reiss, Reversible Work of Formation of an Embryo of a New Phase Within a Uniform Macroscopic Mother Phase. J. Chem. Phys., 108, 5498, 1998. |
|
| (073) | D.S. Corti and P.G. Debenedetti, Statistical Mechanics of Fluids Under Internal Constraints: Rigorous Results for the One-Dimensional Hard Rod Fluid. Phys. Rev. E, 57, 4211, 1998. |
|
| (074) | S. Sastry, P.G. Debenedetti and F.H. Stillinger, Signatures of Distinct Dynamical Regimes in the Energy Landscape of a Glass-Forming Liquid. Nature, 393, 554, 1998. | |
| (075) | L.P. Rebelo, P.G. Debenedetti and S. Sastry, Singularity-Free Interpretation of the Thermodynamics of Supercooled Water. II: Thermal and Volumetric Behavior. J. Chem. Phys., 109, 626, 1998. |
|
| (076) | C.J. Roberts, G.A. Karayiannakis and P.G. Debenedetti, Liquid-Liquid Immiscibility in Single-Component Network-Forming Fluids: Model Calculations, and Implications for Polyamorphism in Water. Ind. & Eng. Chem. Res., 37, 3012, 1998. |
|
| (077) | T.M. Truskett, S. Torquato, S. Sastry, P.G. Debenedetti and F.H. Stillinger, A Structural Precursor to Freezing in the Hard-Disk and Hard-Sphere Systems. Phys. Rev. E, 58, 3083, 1998. |
|
| (078) | F.H. Stillinger, P.G. Debenedetti and S. Sastry, Resolving Vibrational and Structural Contributions to Isothermal Compressibility. J.Chem.Phys., 109, 3983, 1998. |
|
| (079) | K.M. Layn, P.G. Debenedetti and R.K.Prud'homme, A Theoretical Study of Gemini Surfactant Phase Behavior. J. Chem. Phys., 109, 5651, 1998. |
|
| (080) | S. Sastry, T.M. Truskett, P.G. Debenedetti, S. Torquato and F.H. Stillinger, Free Volume in the Hard-Sphere Liquid. Molec. Phys., 95, 289, 1998. | |
| (081) | J.K. Maranas, M. Mondello, G.S. Grest, S.K. Kumar, P.G. Debenedetti and W.W. Graessley, Liquid Structure, Thermodynamics, and Mixing Behavior of Saturated Hydrocarbon Polymers. 1. Cohesive Energy Density and Internal Pressure. Macromolecules, 31, 6991, 1998. |
|
| (082) | J.K. Maranas, S.K. Kumar, P.G. Debenedetti, W.W. Graessley, M. Mondello and G.S. Grest, Liquid Structure, Thermodynamics, and Mixing Behavior of Saturated Hydrocarbon Polymers. 2. Pair Distribution Functions and the Regularity of Mixing. Macromolecules, 31, 6998, 1998. |
|
| (083) | T.M. Truskett, S. Torquato and P.G. Debenedetti, Density Fluctuations in Many-Body Systems. Phys. Rev. E, 58, 7369, 1998. |
|
| (084) | M.A. Winters, D.Z. Frankel, P.G. Debenedetti, J. Carey, M. Devaney, and T.M. Przybycien, Protein Purification with Vapor-Phase Carbon Dioxide. Biotech. & Bioeng., 62, 247, 1999. | |
| (085) | F.H. Stillinger and P.G. Debenedetti, Distinguishing Vibrational and Structural Equilibration Contributions to Thermal Expansion. J. Phys. Chem. B, 103, 4052, 1999. |
|
| (086) | T.M. Truskett and P.G. Debenedetti, The Statistical Geometry of Voids in Liquids. Fluid Phase Equil., 158-160, 549, 1999. | |
| (087) | T.M. Truskett, P.G. Debenedetti, S. Sastry and S. Torquato, A Single-Bond Approach to Orientation-Dependent Interactions and its Implications for Liquid Water. J. Chem. Phys., 111, 2647, 1999. |
|
| (088) | V.K. Shen and P.G. Debenedetti, A Computational Study of Homogeneous Liquid-Vapor Nucleation in the Lennard-Jones Fluid. J. Chem. Phys., 111, 3581, 1999. |
|
| (089) | P.G. Debenedetti and H. Reiss, Reply to the Comment on: Reversible Work of Formation of an Embryo of a New Phase Within a Uniform Macroscopic Mother Phase [J.Chem.Phys. 108, 5498 (1998)]. J. Chem. Phys., 111, 3781, 1999. |
|
| (090) | C.J. Roberts and P.G. Debenedetti, Structure and Dynamics in Concentrated, Amorphous Carbohydrate-Water Systems by Molecular Dynamics Simulation. J. Phys. Chem. B, 103, 7308, 1999. |
|
| (091) | P.G. Debenedetti, F.H. Stillinger, T.M. Truskett and C.J. Roberts, The Equation of State of an Energy Landscape. J. Phys. Chem. B, 103, 7390, 1999. |
|
| (092) | J. Werling and P.G. Debenedetti, Numerical Modeling of Mass Transfer in the Supercritical Antisolvent Process. J. Supercrit. Fluids, 16, 167, 1999. | |
| (093) | C.J. Roberts, P.G. Dbenedetti and F.H. Stillinger, Equation of State of the Energy Landscape of SPC/E Water. J. Phys. Chem. B, 103, 10258, 1999. |
|
| (094) | S. Sastry, P.G. Debenedetti, F.H. Stillinger, T.B. Schrøder, J.C. Dyre and S.C. Glotzer, Potential Energy Landscape Signatures of Slow Dynamics in Glass Forming Liquids. Physica A, 270, 310, 1999. | |
| (095) | M. Utz, P.G. Debenedetti and F.H. Stillinger, Atomistic Simulation of Aging and Rejuvenation in Glasses. Phys. Rev. Lett., 84, 1471, 2000. |
|
| (096) | S. Torquato, T.M. Truskett and P.G. Debenedetti, Is Random Close Packing of Spheres Well Defined?. Phys. Rev. Lett., 84, 2064, 2000. |
|
| (097) | T.M. Truskett, S. Torquato and P.G. Debenedetti, Towards a Quantification of Disorder in Materials: Distinguishing Equilibrium and Glassy Sphere Packings. Phys. Rev. E, 62, 993, 2000. |
|
| (098) | A. Vishnyakov, P.G. Debenedetti and A.V. Neimark, Statistical Geometry of Cavities in a Confined Metastable Fluid. Phys. Rev. E, 62, 538, 2000. |
|
| (099) | J. Werling and P.G. Debenedetti, Numerical Modeling of Mass Transfer in the Supercritical Antisolvent Process: Miscible Conditions. J. Supercrit. Fluids, 18, 11, 2000. | |
| (100) | D.K. Stillinger, F.H. Stillinger, S. Torquato, T.M. Truskett and P.G. Debenedetti, Triangle Distribution and Equation of State for Classical Rigid Disks. J. Stat. Phys., 100, 49, 2000. | |
| (101) | F.H. Stillinger, D.K. Stillinger, S. Torquato, T.M. Truskett and P.G. Debenedetti, Equation of State of the Rigid Disk Fluid from its Triangle Distribution. J. Chem. Phys., 113, 10186, 2000. |
|
| (102) | J.R. Errington and P.G. Debenedetti, Relationship Between Structural Order and the Anomalies of Liquid Water. Nature, 409, 318, 2001. | |
| (103) | T.M. Truskett, P.G. Debenedetti and S. Torquato, Thermodynamic Implications of Confinement for a Water-Like Fluid. J. Chem. Phys., 114, 2401, 2001. |
|
| (104) | V.K. Shen and P.G. Debenedetti, Density-functional Study of Homogeneous Bubble Nucleation in the Stretched Lennard-Jones Fluid. J. Chem. Phys., 114, 4149, 2001. |
|
| (105) | P.G. Debenedetti and F.H. Stillinger, Supercooled Liquids and the Glass Transition. Nature, 410, 259, 2001. | |
| (106) | M. Utz, P.G. Debenedetti and F.H. Stillinger, Isotropic Tensile Strength of Molecular Glasses. J. Chem. Phys., 114, 10049, 2001. |
|
| (107) | M.R. Feeney, C. Brown, A. Tsai, D. Neumann and P.G. Debenedetti, Incoherent Quasi-Elastic Neutron Scattering from Fructose-Water Solutions. J. Phys. Chem. B, 105, 7799, 2001. |
|
| (108) | F.H. Stillinger, P.G. Debenedetti and T.M. Truskett, The Kauzmann Paradox Revisited. J. Phys. Chem. B, 105, 11809, 2001. |
|
| (109) | H. Ashbaugh, T.M. Truskett and P.G. Debenedetti, A simple molecular thermodynamic theory of hydrophobic hydration. J. Chem. Phys., 116, 2907, 2002. |
|
| (110) | F.H. Stillinger and P.G. Debenedetti, Energy Landscape Diversity and Supercooled Liquid Properties. J. Chem. Phys., 116, 3353, 2002. |
|
| (111) | M. Weber, L.M. Russell and P.G. Debenedetti, Mathematical Modeling of Nucleation and Growth of Particles Formed by the Rapid Expansion of Supercritical Solutions under Subsonic Conditions. J. Supercrit. Fluids, 23, 65, 2002. | |
| (112) | C.J. Roberts and P.G. Debenedetti, Engineering Pharmaceutical Stability with Amorphous Solids. AIChEJ., 48, 1140, 2002. | |
| (113) | M.S. Shell, P.G. Debenedetti and A.Z. Panagiotopoulos, Molecular Structural Order and Anomalies in Liquid Silica. Phys. Rev. E, 66, 011202, 2002. |
|
| (114) | V.K. Shen, P.G. Debenedetti and F.H. Stillinger, Energy Landscape and Tensile Strength of n-Alkane Glasses. J. Phys. Chem. B, 106, 10447, 2002. |
|
| (115) | T.M. Truskett, P.G. Debenedetti and S. Torquato, Comment on "Observations on an Equation of State for Water Confined in Narrow Slit-Pores", [J. Chem. Phys. 116, 2565 (2002)]. J. Chem. Phys., 117, 8162, 2002. |
|
| (116) | J.R. Errington, P.G. Debenedetti and S. Torquato, Cooperative Origin of Low-Density Domains in Liquid Water. Phys. Rev. Lett., 89, 215503, 2002. |
|
| (117) | M.S. Shell, P.G. Debenedetti and A.Z. Panagiotopoulos, Generalization of the Wang-Landau Method for Off-Lattice Simulations. Phys. Rev. E, 66, 056703, 2002. |
|
| (118) | V.K. Shen and P.G. Debenedetti, A Kinetic Theory of Homogeneous Bubble Nucleation. J. Chem. Phys., 118, 768, 2003. |
|
| (119) | J.R. Errington, P.G. Debenedetti and S. Torquato, Quantification of Order in the Lennard-Jones System. J. Chem. Phys., 118, 2256, 2003. |
|
| (120) | M.S. Shell, P.G. Debenedetti, E. La Nave and F. Sciortino, Energy Landscapes, Ideal Glasses, and their Equation of State. J. Chem. Phys., 118, 8821, 2003. |
|
| (121) | P.G. Debenedetti and H.E. Stanley, Supercooled and Glassy Water. Physics Today, 56(6), 40, 2003. | |
| (122) | F. Chávez-Ríos, P.G. Debenedetti, J.J. Luo, R.N. Dave and R. Pfeffer, Estimation of Characteristic Time Scales in the Supercritical Antisolvent Process. Ind. & Eng. Chem. Res., 42, 3156, 2003. |
|
| (123) | M.R. Feeney, P.G. Debenedetti and F.H. Stillinger, A Statistical Mechanical Model for Inverse Melting. J. Chem. Phys., 119, 4582, 2003. |
|
| (124) | F.H. Stillinger and P.G. Debenedetti, Phase Transitions, Kauzmann Curves, and Inverse Melting. Biophys. Chem., 105, 211, 2003. | |
| (125) | E. La Nave, F. Sciortino, P. Tartaglia, M.S. Shell and P.G. Debenedetti, Test of Non-Equilibrium Thermodynamics in Glassy Systems: the Soft-Sphere Case. Phys. Rev. E, 68, 032103, 2003. |
|
| (126) | M.S. Shell, P.G. Debenedetti and A.Z. Panagiotopoulos, An Improved Monte Carlo Method for the Calculation of the Density of States. J. Chem. Phys., 119, 9406, 2003. |
|
| (127) | H. Ashbaugh, T.M. Truskett and P.G. Debenedetti, Response to Comment on: A Simple Molecular Thermodynamic Theory of Hydrophobic Hydration [J.Chem.Phys. 116, 2907 (2002)]. J. Chem. Phys., 119, 10450, 2003. |
|
| (128) | P.G. Debenedetti, Supercooled and Glassy Water. J. Phys.: Cond. Matt., 15, R1669, 2003. | |
| (129) | M.R. Feeney and P.G. Debenedetti, A Theoretical Study of the Interfacial Properties of Supercooled Water. Ind. & Eng. Chem. Res., 42, 6396, 2003. |
|
| (130) | P.G. Debenedetti, F.H. Stillinger and M.S. Shell, Model Energy Landscapes. J. Phys. Chem. B, 107, 14434, 2003. |
|
| (131) | M.S. Shell, P.G. Debenedetti and A.Z. Panagiotopoulos, Saddles in the Energy Landscape: Extensivity and Thermodynamic Formalism. Phys. Rev. Lett., 92, 035506, 2004. |
|
| (132) | S.L. Lee, P.G. Debenedetti, J.R. Errington, B.A. Pethica and D.J. Moore, A Calorimetric and Spectroscopic Study of DNA at Low Hydration. J. Phys. Chem. B, 108, 3098, 2004. |
|
| (133) | M.S. Shell and P.G. Debenedetti, Thermodynamics and the Glass Transition in Model Energy Landscapes. Phys. Rev. E, 69, 051102, 2004. |
|
| (134) | M.S. Shell, P.G. Debenedetti and F.H. Stillinger, Inherent Structure View of Self-Diffusion in Liquids. J. Phys. Chem. B, 108, 6772, 2004. |
|
| (135) | L. Chen, P.G. Debenedetti, C.W. Gear and I.G. Kevrekidis, From Molecular Dynamics to Coarse Self-Similar Solutions: a Simple Example Using Equation-Free Computation. J. Non-Newt. Fluid Mech., 120, 215, 2004. | |
| (136) | P.G. Debenedetti, Reply to Comment on "Supercooled and Glassy Water". J. Phys.: Cond. Matt., 16, 6815, 2004. | |
| (137) | T.F. O'Connor, P.G. Debenedetti and J.D. Carbeck, Simultaneous Determination of Structural and Thermodynamic Effects of Carbohydrate Solutes on the Thermal Stability of Ribonuclease A. J. Amer. Chem. Soc., 126, 11794, 2004. |
|
| (138) | Y. Zhang, P.G. Debenedetti, R.K. Prud'homme and B.A. Pethica, Differential Scanning Calorimetry (DSC) Studies of Clathrate Hydrate Formation. J. Phys. Chem. B, 108, 16717, 2004. |
|
| (139) | M.S. Shell, P.G. Debenedetti and A.Z. Panagiotopoulos, Flat Histogram Dynamics and Optimization in Density of States Simulation of Fluids. J. Phys. Chem. B, 108, 19748, 2004. |
|
| (140) | E. La Nave, F. Sciortino, P. Tartaglia, M.S. Shell and P.G. Debenedetti, Reply to Comment on "Test of Nonequilibrium Thermodynamics in Glassy Systems: the Soft-Sphere Case". Phys. Rev. E, 71, 033102, 2005. |
|
| (141) | R.M. Lynden-Bell and P.G. Debenedetti, Computational Investigation of Order, Structure and Dynamics in Modified Water Models. J. Phys. Chem. B, 109, 6527, 2005. |
|
| (142) | F.H. Stillinger and P.G. Debenedetti, An Alternative View of Self Diffusion and Shear Viscosity. J. Phys. Chem. B, 109, 6604, 2005. |
|
| (143) | S.L. Lee, P.G. Debenedetti and J.R. Errington, A Computational Study of Hydration, Solution Structure, and Dynamics in Dilute Carbohydrate Solutions. J. Chem. Phys., 122, 204511, 2005. |
|
| (144) | N. Giovambattista, P.G. Debenedetti, F. Sciortino and H.E. Stanley, Structural Order in Glassy Water. Phys. Rev. E, 71, 061505, 2005. |
|
| (145) | P.G. Debenedetti, Structure, Dynamics, and Thermodynamics in Complex Systems: Theoretical Challenges and Opportunities. AIChEJ., 51, 2391, 2005. | |
| (146) | S. Chatterjee, H.S. Ashbaugh and P.G. Debenedetti, Effects of non-Polar Solutes on the Thermodynamic Response Functions of Aqueous Mixtures. J. Chem. Phys., 123, 164503, 2005. |
|
| (147) | M.S. Shell, P.G. Debenedetti and F.H. Stillinger, Novel Computational Probes of Diffusive Motion. J. Phys. Chem. B, 109, 21329, 2005. |
|
| (148) | M.S. Shell, P.G. Debenedetti and F.H. Stillinger, Dynamic Heterogeneity and Non-Gaussian Behavior in a Model Supercooled Liquid. J. Phys.: Condens. Matter, 17, S4035, 2005. | |
| (149) | C. Chakravarthy, P.G. Debenedetti and F.H. Stillinger, Generating Inherent Structures of Liquids: Comparison with Local Minimization Algorithms. J. Chem. Phys., 123, 206101, 2005. |
|
| (150) | M.S. Shell, P.G. Debenedetti and A.Z. Panagiotopoulos, Computational Characterization of the Sequence Landscape in Simple Protein Alphabets. Proteins. Struct., Funct. & Bioinformatics, 62, 232, 2006. | |
| (151) | M.S. Shell, P.G. Debenedetti and A.Z. Panagiotopoulos, A Conformal Solution Theory for the Energy Landscape and Glass Transition of Mixtures. Fluid Phase Equil., 241, 147, 2006. | |
| (152) | N. Giovambattista, P.J. Rossky and P.G. Debenedetti, Effect of Pressure on the Phase Behavior and Structure of Water Confined Between Nanoscale Hydrophobic and Hydrophilic Plates. Phys. Rev. E, 73, 041604, 2006. |
|
| (153) | S. Chatterjee and P.G. Debenedetti, Fluid-Phase Behavior of Binary Mixtures in which One Component Can Have Two Critical Points. J. Chem. Phys., 124, 154503, 2006. |
|
| (154) | Y. Zhang, P.G. Debenedetti, R.K. Prud'homme and B.A. Pethica, Accurate Prediction of Clathrate Hydrate Phase Equilibria below 300K from a Simple Model. J. Petr. Sci. & Eng., 51, 45, 2006. | |
| (155) | Z. Yan, S. Buldyrev, N. Giovambattista, P.G. Debenedetti and H.E. Stanley, Family of Tunable Spherically-Symmetric Potentials that Span the Range from Hard Spheres to Water-like Behavior. Phys. Rev. E, 73, 051204, 2006. |
|
| (156) | S.L. Lee, A.E. Hafeman, P.G. Debenedetti, B.A. Pethica, and D.J. Moore, Solid-State Stabilization of alpha-Chymotrypsin and Catalase with Carbohydrates. Ind. & Eng. Chem. Res., 45, 5134, 2006. |
|
| (157) | T.G. Lombardo, P.G. Debenedetti and F.H. Stillinger, Computational Probes of Molecular Motion in the Lewis and Wahnström Model of ortho-Terphenyl. J. Chem. Phys., 125, 174507, 2006. |
|
| (158) | F.H. Stillinger, P.G. Debenedetti and S. Chatterjee, Scaled Particle Theory for Hard Sphere Pairs. I. Mathematical Structure. J. Chem. Phys, 125, 204504, 2006. |
|
| (159) | S. Chatterjee, P.G. Debenedetti and F.H. Stillinger , Scaled Particle Theory for Hard Sphere Pairs. II. Numerical Analysis. J. Chem. Phys, 125, 204505, 2006. |
|
| (160) | N. Giovambattista, P.G. Debenedetti and P.J. Rossky, Hydration Behavior Under Confinement by Nanoscale Surfaces with Patterned Hydrophobicity and Hydrophilicity. J. Phys. Chem. C, 111, 1323, 2007. |
|
| (161) | T.F. O'Connor, P.G. Debenedetti and J.D. Carbeck, Stability of Proteins in Carbohydrates: Experiments and Modeling Using Scaled Particle Theory. Biophys. Chem., 127, 51, 2007. | |
| (162) | C. Chakravarthy, P.G. Debenedetti and F.H. Stillinger, Lindemann Measures for the Solid-Liquid Phase Transition. J. Chem. Phys., 126, 204508, 2007. |
|
| (163) | N. Giovambattista, P.G. Debenedetti and P.J. Rossky, Effect of Surface Polarity on Water Contact Angle and Interfacial Hydration Structure. J. Phys. Chem. B, 111, 9581, 2007. |
|
| (164) | Z. Yan, S.V. Buldyrev, P. Kumar, N. Giovambattista, P.G. Debenedetti and H.E. Stanley, Structure of the First and Second Neighbor Shells of Water: Quantitative Relation with Translational and Orientational Order. Phys. Rev. E, 76, 051201, 2007. |
|
| (165) | B.A. Patel, P.G. Debenedetti, F.H. Stillinger and P.J. Rossky, A Water-Explicit Lattice Model of Heat-, Cold-, and Pressure-Induced Protein Unfolding. Biophys. J., 93, 4116, 2007. |
|
| (166) | B.A. Patel, P.G. Debenedetti, F.H. Stillinger, Method for Efficient Computation of the Density of States in Water-Explicit Biopolymer Simulations on a Lattice. J. Phys. Chem. A, 111, 12651, 2007. |
|
| (167) | S.V. Buldyrev, P. Kumar, P.G. Debenedetti, P.J. Rossky and H.E. Stanley, Water-like Solvation Thermodynamics in a Spherically-Symmetric Solvent Model with Two Characteristic Lengths. Proc. Nat'l. Acad. Sci. USA, 104, 20177, 2007. |
|
| (168) | N. Giovambattista, C.F. López, P.G. Debenedetti and P.J. Rossky, Hydrophobicity of Protein Surfaces. Separating Geometry from Chemistry. Proc. Nat'l. Acad. Sci. USA, 105, 2274, 2008. |
|
| (169) | S. Chatterjee, P.G. Debenedetti, F.H. Stillinger and R.M. Lynden-Bell, A Computational Investigation of Thermodynamics, Structure, Dynamics and Solvation Behavior in Modified Water Models. J. Chem. Phys., 128, 124511, 2008. |
|
| (170) | B.A. Patel, P.G. Debenedetti, F.H. Stillinger and P.J. Rossky, The Effect of Sequence on the Conformational Stability of a Model Heteropolymer in Explicit Water. J. Chem. Phys., 128, 175102, 2008. |
|
| (171) | T.G. Lombardo, N. Giovambattista and P.G. Debenedetti, Structural and Mechanical Properties of Glassy Water in Nanoscale Confinement. Faraday Discuss., 141, 359, 2009. |
|
| (172) | S. Romero-Vargas Castrillón, N. Giovambattista, I. A. Aksay and P. G. Debenedetti, Effect of Surface Polarity on the Structure and Dynamics of Water in Nano-scale Confinement. J. Phys. Chem. B, 113, 1438, 2009. |
|
| (173) | N. Giovambattista, P.J. Rossky and P.G. Debenedetti, Phase Transitions Induced by Nanoconfinement in Liquid Water. Phys. Rev. Lett., 102, 050603, 2009. |
|
| (174) | T.G. Lombardo, F.H. Stillinger and P.G. Debenedetti, Thermodynamic Mechanism for Solution Phase Chiral Amplification. A Lattice Model. Proc. Nat'l. Acad. Sci. USA, 106, 15131, 2009. |
|
| (175) | A.L. Ferguson, P.G. Debenedetti and A.Z. Panagiotopoulos, Solubility and Molecular Conformations of n-Alkane Chains in Water. J. Phys. Chem. B, 113, 6405, 2009. |
|
| (176) | N. Giovambattista, P.G. Debenedetti and P.J. Rossky, Effect of Temperature on the Structure and Phase Behavior of Water Confined by Hydrophobic, Hydrophilic and Heterogeneous Surfaces. J. Phys. Chem. B, 113, 13723, 2009. |
|
| (177) | S. Romero-Vargas Castrillón, N. Giovambattista, I.A. Aksay and P.G. Debenedetti, Evolution from Surface-Influenced to Bulk-Like Dynamics in Nanoscopically Confined Water (Letter). J. Phys. Chem. B, 113, 7973, 2009. |
|
| (178) | T. Cho, N. Byrne, D.J. Moore, B.A. Pethica, C.A. Angell and P.G. Debenedetti, Structure-Energy Relations in Hen Egg White Lysozyme Observed During Refolding from a Quenched Unfolded State. ChemComm., issue 29, 4441, 2009. |
|
| (179) | N. Giovambattista, P.G. Debenedetti and P.J. Rossky, Enhanced Surface Hydrophobicity by Coupling of Surface Polarity and Topography. Proc. Nat'l. Acad. Sci. USA, 106, 15181, 2009. |
|
| (180) | Y. Liu, A.Z. Panagiotopoulos and P.G. Debenedetti, Low Temperature Fluid-Phase Behavior of ST2 Water. J. Chem. Phys., 131, 104508, 2009. |
|
| (181) | Y. Liu, A.Z. Panagiotopoulos and P.G. Debenedetti, Finite Size Scaling Study of the Vapor-Liquid Critical Properties of Confined Fluids: Crossover from 3D to 2D. J. Chem. Phys., 132, 144107, 2010. |
|
| (182) | A.L. Ferguson, A.Z. Panagiotopoulos, P.G. Debenedetti and I.G. Kevrekidis, Systematic Determination of Order Parameters for Chain Dynamics Using Diffusion Maps. Proc. Nat'l. Acad. Sci. USA, 107, 13597, 2010. |
|
| (183) | A.L. Ferguson, S. Zhang, I. Dikiy, A.Z. Panagiotopoulos, P.G. Debenedetti and A.J. Link, An Experimental and Computational Investigation of Spontaneous Lasso Formation in Microcin J25. Biophys. J., 99, 3056, 2010. |
|
| (184) | H.W. Hatch, F.H. Stillinger and P.G. Debenedetti, Chiral Symmetry Breaking in a Microscopic Model with Asymmetric Autocatalysis and Inhibition. J. Chem. Phys., 133, 224502, 2010. |
|
| (185) | L. Xu, N. Giovambattista, S.V. Buldyrev, P.G.Debenedetti and H.E. Stanley, Water-Like Glass Polyamorphism in a Monoatomic Isotropic Jagla Model. J. Chem. Phys., 134, 064507, 2011. |
|
| (186) | R.M. Lynden-Bell, N. Giovambattista, P.G. Debenedetti, T. Head-Gordon and P.J. Rossky, Hydrogen Bond Strength and Network Structure Effects on Hydration of Non-Polar Molecules. Phys. Chem. Chem. Phys., 13, 2748, 2011. |
|
| (187) | S. Romero-Vargas Castrillón, N. Giovambattista, I. Aksay and P.G. Debenedetti, Structure and Energetics of Thin Film Water. J. Phys. Chem. C, 115, 4624, 2011. |
|
| (188) | Z. Shi, P.G. Debenedetti and F.H. Stillinger, Properties of Model Atomic Free-Standing Thin Films. J. Chem. Phys., 134, 114524, 2011. |
|
| (189) | S. Sarupria and P.G. Debenedetti, Molecular Dynamics Study of Carbon Dioxide Hydrate Dissociation. J. Phys. Chem. A, 115, 6102, 2011. |
|
| (190) | A.L. Ferguson, A.Z. Panagiotopulos, P.G. Debenedetti and Y.G. Kevrekidis, Integrating Diffusion Maps with Umbrella Sampling: Application to Alanine Dipeptide. J. Chem. Phys., 134, 135103, 2011. |
|
| (191) | C. A. Cerdeiriña, P.G. Debenedetti, P.J. Rossky and N. Giovambattista, Evaporation Length Scales of Confined Water and Some Common Organic Liquids. J. Phys. Chem. Lett., 2, 1000, 2011. |
|
| (192) | Y. Liu, A.Z. Panagiotopoulos and P.G. Debenedetti, Monte Carlo Simulations of High-Pressure Phase Equilibria of CO2-H2O Mixtures. J. Phys. Chem. B, 115, 6629, 2011. |
|
| (193) | A.L. Ferguson, A.Z. Panagiotopoulos, I.G. Kevrekidis and P.G. Debenedetti, Nonlinear Dimensionality Reduction in Molecular Simulation: The Diffusion Map Approach.(Frontiers article) . Chem. Phys. Lett. , 509, 1, 2011. |
|
| (194) | Z. Shi, P.G. Debenedetti, F.H. Stillinger and P. Ginart, Structure, Dynamics and Thermodynamics of a Family of Potentials with Tunable Softness. J. Chem. Phys., 135, 084513, 2011. |
|
| (195) | G. Stirnemann, S. Romero-Vargas Castrillón, J.T. Hynes, P.J. Rossky, P.G. Debenedetti and D. Laage, Non-Monotonic Dependence of Water Dynamics on Surface Hydrophilicity: Competing Effects of Hydration Structure and Hydrogen Bond Strength. Phys. Chem. Chem. Phys., 13, 19911, 2011. |
|
| (196) | S. Matysiak, P.G. Debenedetti and P.J. Rossky, Dissecting the Energetics of Hydrophobic Hydration of Polypeptides. J. Phys. Chem. B, 115, 14859, 2011. |
|
| (197) | Z. Su, S.V. Buldyrev, P.G. Debenedetti, P.J. Rossky and H.E. Stanley, Modeling Simple Amphiphilic Solutes in a Jagla Solvent. J. Chem. Phys., 136, 044511, 2012. |
|
| (198) | N. Giovambattista, P.J. Rossky and P.G. Debenedetti, Computational Studies of Pressure, Temperature and Surface Effects on the Structure and Thermodynamics of Confined Water. Annu. Rev. Phys. Chem., 63, 179, 2012. |
|
| (199) | S. Sharma and P.G. Debenedetti, Evaporation Rate of Water in Hydrophobic Confinement. Proc. Nat'l. Acad. Sci. USA, 109, 4365, 2012. |
|
| (200) | K.B. Daly, J.B. Benziger, P.G. Debenedetti and A.Z. Panagiotopoulos, Massively Parallel Chemical Potential Calculations on Graphics Processing Units. Computer Phys. Commun., 183, 2054, 2012. |
|
| (201) | S. Matysiak, P.G. Debenedetti and P.J. Rossky, The Role of Hydrophobic Hydration in Protein Stability: a 3D Water-Explicit Protein Model Exhibiting Cold and Heat Denaturation. J. Phys. Chem. B, 116, 8095, 2012. |
|
| (202) | H. Hatch and P.G. Debenedetti, Molecular Modeling of Mechanical Stresses on Proteins in Glassy Matrices: Formalism. J. Chem. Phys., 137, 035103, 2012. |
|
| (203) | S. Romero-Vargas Castrillón, S. Matysiak, F.H. Stillinger, P.J. Rossky and P.G. Debenedetti, Phase Behavior of a Lattice Hydrophobic Oligomer in Expicit Water. J. Phys. Chem. B, 116, 9540, 2012. |
|
| (204) | S. Romero-Vargas Castrillón, S. Matysiak, F.H. Stillinger, P.J. Rossky and P.G. Debenedetti, Thermal Stability of Hydrophobic Helical Oligomers: a Lattice Simulation Study in Explicit Water. J. Phys. Chem. B., 116, 9963, 2012. |
|
| (205) | A.L. Ferguson, N. Giovambattista, P.J. Rossky, A.Z. Panagiotopoulos and P.G. Debenedetti, A Computational Investigation of the Phase Behavior and Capillary Sublimation of Water Confined Between Nanoscale Hydrophobic Plates. J. Chem. Phys., 137, 144501, 2012. |
|
| (206) | J.C. Palmer and P.G. Debenedetti, Computer Simulation of Water Sorption on Flexible Protein Crystals. J. Phys. Chem. Lett., 3, 2713, 2012. |
|
| (207) | S. Sarupria and P.G. Debenedetti, Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics Simulations. J. Phys. Chem. Lett., 3, 2942, 2012. |
|
| (208) | S. Sharma and P.G. Debenedetti, Free Energy Barriers to Evaporation of Water in Hydrophobic Confinement. J. Phys. Chem. B, 116, 13282, 2012. |
|
| (209) | Y. Liu, J.C. Palmer, A.Z. Panagiotopoulos and P.G. Debenedetti, Liquid-Liquid Transition in ST2 Water. J. Chem. Phys., 137, 214505, 2012. |
|
| (210) | F. Ricci, F.H. Stillinger and P.G. Debenedetti, Creation and Persistence of Chiral Asymmetry in a Microscopically Reversible Molecular Model. J. Phys. Chem. B, 117, 602, 2013. |
|
| (211) | Z. Shi, P.G. Debenedetti and F.H. Stillinger, Relaxation Processes in Liquids: Variations on a Theme by Stokes and Einstein. J. Chem. Phys., 138, 12A526, 2013. |
|
| (212) | J. Dowdle, S.V. Buldyrev, H.E. Stanley, P.G. Debenedetti and P.J. Rossky, Temperature and Length Scale Dependence of Solvophobic Solvation in a Single-site Water-like Liquid. . J. Chem. Phys., 138, 064506, 2013. |
|
| (213) | Y. Liu, T. Lafitte, A.Z. Panagiotopoulos and P.G. Debenedetti, Simulations of Vapor-Liquid Phase Equilibrium and Interfacial Tension in the CO2-H2O-NaCl System. AIChE J., 59, 3514, 2013. |
|
| (214) | F.H. Stillinger and P.G. Debenedetti, Glass Transition Thermodynamics and Kinetics. Annu. Rev. Cond. Matter Phys., 4, 263, 2013. |
|
| (215) | S. Sharma, S.K. Kumar, S.V. Buldyrev, P.G. Debenedetti, P.J. Rossky and H.E. Stanley, A Coarse-Grained Protein Model in a Water-like Solvent. Sci. Reports, 3, Art. 1841, doi: 10.1038/srep01841, 2013. |
|
| (216) | J.C. Palmer, R. Car and P.G. Debenedetti, The Liquid-Liquid Transition in Supercooled ST2 Water: a Comparison Between Umbrella Sampling and Well-Tempered Metadynamics. Faraday Discuss., 167, 77, 2013. |
|
| (217) | K.B. Daly, J.B. Benziger, P.G. Debenedetti and A.Z. Panagiotopoulos, Molecular Dynamics Simulations of Water Sorption in a Perfluorosulfonic Acid Membrane. J. Phys. Chem. B, 117, 12649, 2013. |
|
| (218) | F. Ricci, F.H. Stillinger and P.G. Debenedetti, A Computational Investigation of Attrition-Enhanced Chiral Symmetry Breaking in Conglomerate Crystals. J. Chem. Phys., 139, 174503, 2013. |
|
| (219) | V. Holten, J.C. Palmer, P.H. Poole, P.G. Debenedetti and M. Anisimov, Two-State Thermodynamics of the ST2 Model for Supercooled Water. J. Chem. Phys., 140, 104502, 2014. |
|
| (220) | H.W. Hatch, F.H. Stillinger and P.G. Debenedetti, Computational Study of the Stability of the Miniproteins Trp-Cage and GB1 Beta-Hairpin, and of the AK16 Peptide, Under Negative Pressure. J. Phys. Chem. B, 118, 7761, 2014. |
|
| (221) | J.C. Palmer, F. Martelli, Y. Liu, R. Car, A.Z. Panagiotopoulos and P.G. Debenedetti, Metastable Liquid-Liquid Transition in a Molecular Model of Water. Nature, 510, 385, 2014. |
|
| (222) | A. Haji-Akbari and P.G. Debenedetti, The Effect of Substrate on Thermodynamic and Kinetic Anisotropies in Atomic Thin Films. J. Chem. Phys., 141, 024506, 2014. |
|
| (223) | K. Daly, J.B. Benziger, A.Z. Panagiotopoulos and P.G. Debenedetti, Molecular Dynamics Simulations of Water Permeation Across Nafion Membrane Interfaces. J. Phys. Chem. B, 118, 8798, 2014. |
|
| (224) | L. Cai, B.A. Pethica, P.G. Debenedetti and S. Sundaresan, Formation Kinetics of Cyclopentane-Methane Binary Clathrate Hydrate. Chem. Eng. Sci., 119, 147, 2014. |
|
| (225) | J.R. Vella, F.H. Stillinger, A.Z. Panagiotopoulos and P.G. Debenedetti, A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium. J. Phys. Chem. B, 119, 8960, 2015. |
|
| (226) | Y.E. Altabet and P.G. Debenedetti, The Role of Material Flexibility on the Drying Transition of Water Between Hydrophobic Objects: a Thermodynamic Analysis. J. Chem. Phys., 141, 18C535, 2014. |
|
| (227) | A. Haji-Akbari, R.S. DeFever, S. Sarupria and P.G. Debenedetti, Suppression of Sub-Surface Freezing in Free-Standing Thin Films of a Coarse-Grained Model of Water. Phys. Chem. Chem. Phys, 16, 25916, 2014. |
|
| (228) | K. Daly, A.Z. Panagiotopoulos, P.G. Debenedetti and J.B. Benziger, Viscosity of Nafion Oligomers as a Function of Hydration and Counterion Type: a Molecular Dynamics Study. J. Phys. Chem. B, 118, 13981, 2014. |
|
| (229) | J.C. Palmer and P.G. Debenedetti, Recent Advances in Molecular Simulation: a Chemical Engineering Perspective. AIChE J., 61, 370, 2015. |
|
| (230) | S. Kim, J.C. Palmer and P.G. Debenedetti, A Computational Study of the Effect of Matrix Structural Order on Water Sorption by Trp-Cage Miniproteins. J. Phys. Chem. B, 119, 1847, 2015. |
|
| (231) | S. Kim, C.J. Dsilva, I.G. Kevrekidis and P.G. Debenedetti, Systematic Characterization of Protein Folding Pathways Using Diffusion Maps: Application to Trp-Cage Miniprotein. J. Chem. Phys., 142, 085101, 2015. |
|
| (232) | M. Chen, J.R. Vella, A.Z. Panagiotopoulos, P.G. Debenedetti, F.H. Stillinger and E.A. Carter, Liquid Li Structure and Dynamics: a Comparison Between OFDFT and Second Nearest-Neighbor Embedded-Atom Method. AIChE J., 61, 2841, 2015. |
|
| (233) | R.C. Remsing, E. Xi, S. Vembanur, S. Sharma, P.G. Debenedetti, S. Garde and A.J. Patel, Pathways to Dewetting in Hydrophobic Confinement. Proc. Nat'l. Acad. Sci. USA, 112, 8181, 2015. |
|
| (234) | D.J. Bozym, B. Uralcan, D.T. Limmer, M.A. Pope, N.J. Szamreta, P.G. Debenedetti and I.A. Aksay, Anomalous Capacitance Maximum of the Glassy Carbon-Ionic Liquid Interface through Dilution with Organic Solvents. J. Phys. Chem. Lett., 6, 2644, 2015. |
|
| (235) | A. Haji-Akbari and P.G. Debenedetti, Direct Calculation of Ice Homogeneous Nucleation Rate for a Molecular Model of Water. Proc. Nat'l. Acad. Sci. USA, 112, 10582, 2015. |
|
| (236) | A. Haji-Akbari and P.G. Debenedetti, Thermodynamic and Kinetic Anisotropies in Octane Thin Films. J. Chem. Phys., 143, 214501, 2015. |
|
| (237) | L. Cai, B.A. Pethica, P.G. Debenedetti and S. Sundaresan, Formation of Cyclopentane-Methane Binary Clathrate Hydrate in Brine Solutions. Chem. Eng. Sci., 141, 125, 2016. |
|
| (238) | M.M. Gianetti, A. Haji-Akbari, M.P. Longinotti and P.G. Debenedetti, Computational Investigation of Structure, Dynamics and Nucleation Kinetics of a Family of Modified Stillinger-Weber Model Fluids in Bulk and Free-Standing Thin Films. Phys. Chem. Chem. Phys., 18, 4102, 2016. |
|
| (239) | R.S. Singh, J.W. Biddle, P.G. Debenedetti and M. Anisimov, Two-State Thermodynamics and the Possibility of a Liquid-Liquid Transition in Supercooled TIP4P/2005 Water. J. Chem. Phys., 144, 144504, 2016. |
|
| (240) | J.C. Palmer, F. Martelli, Y. Liu, R. Car, A.Z. Panagiotopoulos and P.G. Debenedetti, Reply to "Metastability and no Criticality," by D. Chandler. Nature, 531, E2, doi 10.1038/nature16540, 2016. |
|
| (241) | C. Cerdeiriña and P.G. Debenedetti, Water Anomalous Thermodynamics, Attraction, Repulsion, and Hydrophobic Hydration. J. Chem. Phys., 144, 164501, 2016. |
|
| (242) | J.C. Palmer, R.S. Singh, R. Chen, F. Martelli and P.G. Debenedetti, Density and Bond-Orientational Relaxations in Supercooled Water. Molec. Phys., 114, 2580, 2016. |
|
| (243) | S. Kim, D.R. Gupta and P.G. Debenedetti, Computational Investigation of Dynamical Transitions in Trp-cage Miniprotein Powders. Sci. Rep., 6, 25612, doi: 10.1038/srep25612, 2016. |
|
| (244) | B. Uralcan, I.A. Aksay, P.G. Debenedetti and D.T. Limmer, Concentration Fluctuations and Capacitive Response in Dense Ionic Solutions. J. Phys. Chem. Lett., 7, 2333, 2016. |
|
| (245) | S. Kim, J.C. Palmer and P.G. Debenedetti, Computational Investigation of Cold Denaturation in the Trp-cage Miniprotein. Proc. Nat'l. Acad. Sci. USA, 113, 8991, 2016. |
|
| (246) | F. Latinwo, F.H. Stillinger and P.G. Debenedetti, Molecular Model for Chirality Phenomena. J. Chem. Phys., 145, 154503, 2016. |
|
| (247) | J.R. Espinosa, J.M. Young, H. Jiang, D. Gupta, C. Vega, E. Sanz, P.G. Debenedetti and A.Z. Panagiotopoulos, On the Calculation of Solubilities via Direct Coexistence Simulations: Investigation of NaCl Aqueous Solutions and Lennard-Jones Binary Mixtures. J. Chem. Phys., 145, 154111, 2016. |
|
| (248) | Y.E. Altabet, F.H. Stillinger and P.G. Debenedetti, A Cavitation Transition in the Energy Landscape of Simple Cohesive Liquids and Glasses. J. Chem. Phys., 145, 211905, 2016. |
|
| (249) | J.W. Biddle, R.S. Singh, E.M. Sparano, F. Ricci, M.A. González, C. Valeriani, J.L. Abascal, P.G. Debenedetti, M.A. Anisimov and F. Caupin, Two-Structure Thermodynamics for the TIP4P/2005 Model of Water Covering Supercooled and Deeply Stretched Regions. J. Chem. Phys., 146, 034502, 2017. |
|
| (250) | J.R. Vella, M. Chen, F.H. Stillinger, E.A. Carter, P.G. Debenedetti and A.Z. Panagiotopoulos, Structural and Dynamic Properties of Liquid Tin from a New Modified Embedded-Atom Method Force Field. Phys. Rev. B, 95, 064202, 2017. |
|
| (251) | S. Kim, E.M. Sparano, R.S. Singh and P.G. Debenedetti, Microscopic Origin of Hysteresis in Water Sorption on Protein Matrices. J. Phys. Chem. Lett., 8, 1185, 2017. |
|
| (252) | Y.E. Altabet, A. Haji-Akbari and P.G. Debenedetti, Effect of Material Flexibility on the Thermodynamics and Kinetics of Hydrophobically Induced Evaporation of Water. Proc. Nat'l. Acad. Sci. USA, 114 , E2548, 2017. |
|
| (253) | A. Haji-Akbari and P.G. Debenedetti, Computational Investigation of Surface Freezing in a Molecular Model of Water. Proc. Nat'l. Acad. Sci. USA, 114 , 3316, 2017. |
|
| (254) | R.S. Singh, J.C. Palmer, P.D.A. Pudney, P.K.C. Paul, C. Johannessen, P.G. Debenedetti, J. Raut, K. Lee, M. Noro and D. Tiemessen, Molecular Modeling and Structural Characterization of a High Glycine-Tyrosine Hair Keratin Associated Protein. Phys. Chem. Chem. Phys., 19 , 8575, 2017. |
|
| (255) | F. Ricci and P.G. Debenedetti, A Free Energy Study of the Liquid-Liquid Phase Transition of the Jagla Two-Scale Potential. J. Chem. Sci., 129, 801, 2017. |
|
| (256) | J.R. Vella, M. Chen, S. Fürstenberg, F.H. Stillinger, E.A. Carter, P.G. Debenedetti and A.Z. Panagiotopoulos, Characterization of the Liquid Li-Solid Mo (110) Interface from Classical Molecular Dynamics for Plasma-Facing Applications. Nucl. Fusion, 57, 116036, 2017. |
|
| (257) | S. Kim, R.S. Singh, P.K.C. Paul and Pablo G. Debenedetti, Effects of Disulfide Bridges and Backbone Connectivity on Water Sorption by Protein Matrices. Sci. Rep., 7: 7957, doi:10.1038/s41598-017-08561-2, 2017. |
|
| (258) | A. Haji-Akbari and P.G. Debenedetti, Surface Freezing in Water: a Nexus of Experiments and Simulations. J. Chem. Phys., 147, 060901, 2017. |
|
| (259) | Y.E. Altabet, R.Singh, F.H. Stillinger and P.G. Debenedetti, Thermodynamic Anomalies in Stretched Water. Langmuir, 33, 11771, 2017. |
|
| (260) | Y.E. Altabet and P.G. Debenedetti, Communication: Relationship Between Local Structure and the Stability of Water in Hydrophobic Confinement. J. Chem. Phys., 147, 241102, 2017. |
|
| (261) | H. Jiang, A. Haji-Akbari, P.G. Debenedetti and A.Z. Panagiotopoulos, Forward Flux Sampling Calculation of Homogeneous Nucleation Rates from Aqueous NaCl Solutions. J. Chem. Phys. 148, 044505, 2018. |
|
| (262) | Y.E. Altabet, A.L. Fenley, F.H. Stillinger and P.G. Debenedetti, Cavitation Transition in the Energy Landscape: Distinct Tensile Yielding Behavior in Strongly and Weekly Attractive Systems. J. Chem. Phys., 148, 114501, 2018. |
|
| (263) | J.C. Palmer, A. Haji-Akbari, R. Singh, F. Martelli, R. Car, A.Z. Panagiotopoulos and P.G. Debenedetti, Comment on "The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water" [Parts I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138, 214504 (2013)]. J. Chem. Phys., 148, 137101, 2018. |
|
| (264) | C. Cerdeiriña and P.G. Debenedetti, Water's Thermal Pressure Drives the Temperature Dependence of Hydrophobic Hydration. J. Phys. Chem. B, 122, 3620 2018. |
|
| (265) | B. Uralcan, S.B. Kim, C.E. Markwalter, R.K. Prud'homme and P.G. Debenedetti, A Computational Study of the Ionic Liquid-Induced Destabilization of the Miniprotein Trp-Cage. J. Phys. Chem. B, 122, 5707, 2018. |
|
| (266) | G.H. Zerze, M.N. Khan, F.H. Stillinger and P.G. Debenedetti, Computational Investigation of the Effect of Backbone Chiral Inversions on Polypeptide Structure. J. Phys. Chem. B, 122, 6357, 2018. |
|
| (267) | J.C. Palmer, P.H. Poole, F. Sciortino and P.G. Debenedetti, Advances in Computational Studies of the Liquid-Liquid Transition in Water and Water-Like Models. Chem. Rev., 118, 9129, 2018. |
|
| (268) | H. Jiang, P.G. Debenedetti and A.Z. Panagiotopoulos, Communication: Nucleation Rates of Supersaturated Aqueous NaCl Using a Polarizable Force Field. J. Chem. Phys., 149, 141102, 2018. |
|
| (269) | D. Kozuch, F.H. Stillinger and P.G. Debenedetti, Combined Molecular Dynamics and Neural Network Method for Predicting Protein Antifreeze Activity. Proc. Nat'l. Acad. Sci. USA, 115, 13252 2018. |
|
| (270) | B. Uralcan, F. Latinwo, P.G. Debenedetti and M.A. Anisimov, Pattern of Property Extrema in Supercooled and Stretched Water Models and a New Correlation for Predicting the Stability Limit of the Liquid State. J. Chem. Phys., 150, 064503, 2019. |
|
| (271) | H. Jiang, P.G. Debenedetti and A.Z. Panagiotopoulos, Nucleation in Aqueous NaCl Solutions Shifts from 1-Step to 2-Step Mechanism on Crossing the Spinodal. J. Chem. Phys., 150, 124502, 2019. |
|
| (272) | G.H. Zerze, F.H. Stillinger and P.G. Debenedetti, Effect of Heterochiral Inversions on the Structure of a Beta-Hairpin Peptide. Proteins: Struct., Funct., and Bioinform., 87, 569, http://dx.doi.org/10.1002/prot.25680, 2019. |
|
| (273) | B. Uralcan and P.G. Debenedetti, Computational Investigation of the Effect of Pressure on Protein Stability. J. Phys. Chem. Lett., 10 , 1894, 2019. |
|
| (274) | R.S. Singh, J.C. Palmer, A.Z. Panagiotopoulos and P.G. Debenedetti, Thermodynamic Analysis of the Stability of Planar Interfaces Between Coexisting Phases and its Application to Supercooled Water. J. Chem. Phys., 150, 224503, 2019. |
|
| (275) | F. Ricci, J.C. Palmer, Y. Goswami, S. Sastry, C.A. Angell and P.G. Debenedetti, A Computational Investigation of the Thermodynamics of the Stillinger-Weber Family of Models at Supercooled Conditions. Mol. Phys., 117, 3254, 2019. |
|
| (276) | C.A. Cerdeirina, J. Troncoso, D. González-Salgado, P.G. Debenedetti and H.E. Stanley, Water's Two-Critical-Point Scenario in the Ising Paradigm. J. Chem. Phys. 150, 244509, 2019. |
|
| (277) | G. H. Zerze, F. H. Stillinger and P.G. Debenedetti, Computational Investigation of Retro-Isomer Equilibrium Structures: Intrinsically Disordered, Foldable and Cyclic Peptides. FEBS Lett., 594, 104, 2020. |
|
| (278) | D.J. Kozuch, F.H. Stillinger and P.G. Debenedetti, Low Temperature Protein Refolding Suggested by Molecular Simulation. J. Chem. Phys., 151, 185101, 2019. |
|
| (279) | D.J. Kozuch, K. Ristroph, R.K. Prud'homme and P.G. Debenedetti, Insights into Hydrophobic Ion Pairing from Molecular Simulation and Experiment. ACS Nano, 14, 6097, 2020. |
|
| (280) | G.H. Zerze, F.H. Stillinger and P.G. Debenedetti, The Handedness of DNA Assembly Around Carbon Nanotubes is Determined by the Chirality of DNA. J. Phys. Chem. B 124, 5362, 2020. |
|
| (281) | P.G. Debenedetti, F. Sciortino and G.H. Zerze, Second Critical Point in Two Realistic Models of Water. Science, 369, 289, 2020. |
|
| (282) | T.E. Gartner, L. Zhang, P.M. Piaggi, R. Car, A.Z. Panagiotopoulos and P.G. Debenedetti, Signatures of a Liquid-Liquid Transition in an Ab-Initio Deep Neural Network Model for Water. Proc. Nat'l. Acad. Sci. USA, 117, 26040, 2020. |
|
| (283) | C.E. Markwalter, B. Uralcan, I. Pelczer, S. Zarzhitsky, M.H. Hecht, R.K. Prud'homme and P.G. Debenedetti, Stability of Protein Structure During Nanocarrier Encapsultion: Insights on Solvent Effects from Simulations and Spectroscopic Analysis. ACS Nano, 14, 16962, 2020. |
|
| (284) | D.J. Kozuch, F.H. Stillinger and P.G. Debenedetti, Genetic Algorithm Approach for the Optimization of Protein Antifreeze Activity Using Molecular Simulations. J. Chem. Theory Comput., 16, 7866, 2020. |
|
| (285) | G.H. Zerze, F.H. Stillinger and P.G. Debenedetti, Thermodynamics of DNA Hybridization from Atomistic Simulations. J. Phys. Chem. B, 125, 771, 2021. |
|
| (286) | P.M. Piaggi, A.Z. Panagiotopoulos, P.G. Debenedetti and R. Car, Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional. J. Chem. Theory Comput., 17, 3065, 2021. |
|
| (287) | T.E. Gartner, S. Torquato, R. Car and P.G. Debenedetti, Manifestations of Metastable Criticality in the Long-Range Structure of Model Water Glasses. Nature Commun., 12, 3398, https://doi.org/10.1038/s41467-021-23639-2, 2021. |
|
| (288) | D.J. Kozuch, F.H. Stillinger and P.G. Debenedetti, Effects of Trehalose on Lipid Membranes Under Rapid Cooling Using All-Atom and Coarse-Grained Molecular Simulations. J. Phys. Chem. B, 125, 5346, 2021. |
|
| (289) | N.D. Petsev, F.H. Stillinger and P.G. Debenedetti, Effect of Configuration-Dependent Multi-Body Forces on Interconversion Kinetics of a Chiral Tetramer Model. J. Chem. Phys., 155, 084105, 2021. |
|
| (290) | Y. Goswami, V.V. Vasisht, D. Frenkel, P.G. Debenedetti and S. Sastry, Thermodynamics and Kinetics of Crystallization in Deeply Supercooled Stillinger-Weber Silicon. J. Chem. Phys., 155, 194502, 2021. |
|
| (291) | B. Uralcan, T.J. Longo, M.A. Anisimov, F.H. Stillinger and P.G. Debenedetti, Interconversion-Controlled Liquid-Liquid Phase Separation in a Molecular Chiral Model. J. Chem. Phys., 155, 204502, 2021. |
|
| (292) | G.H. Zerze, P.M. Piaggi and P.G. Debenedetti, A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States. J. Phys. Chem. B, 125, 13685, 2021. |
|
| (293) | T.E. Gartner, K.M. Hunter, E. Lambros, A. Caruso, M. Riera, G.R. Medders, A.Z. Panagiotopoulos, P.G. Debenedetti and F. Paesani, Anomalies and Local Structure of Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-Pol Model. J. Phys. Chem. Lett., 13, 3652, 2022. |
|
| (294) | J. Weis, F. Sciortino, A.Z. Panagiotopoulos and P.G. Debenedetti, Liquid-Liquid Criticality in the WAIL Water Model. J. Chem. Phys., 157, 024502, 2022. |
|
| (295) | P.M. Piaggi, J. Weis, A.Z. Panagiotopoulos, P.G. Debenedetti and R. Car, Homogeneous Ice Nucleation in an Ab-Initio Machine-Learning Model of Water. Proc. Nat'l. Acad. Sci. USA, 119, e2207294119, 2022. |
|
| (296) | Y. Wang, F.H. Stillinger and P.G. Debenedetti, Fluid-Fluid Phase Transitions in a Chiral Molecular Model. J. Chem. Phys., 157, 084501, 2022. |
|
| (297) | N.D. Petsev, A. Nikoubasham, F. Latinwo, F.H. Stillinger and P.G. Debenedetti, Crystal Prediction via Genetic Algorithms in a Model Chiral System. J. Phys. Chem. B, 126, 7771, 2022. |
|
| (298) | T.E. Gartner, P.M. Piaggi, R. Car, A.Z. Panagiotopoulos and P.G. Debenedetti, Liquid-Liquid Transition in Water from First Principles. Phys. Rev. Lett., 129, 255702, 2022. |
|
| (299) | T.J. Longo, N.A. Shumovskyi, B. Uralcan, S.V. Buldyrev, M.A. Anisimov and P.G. Debenedetti, Formation of Dissipative Structures in Microscopic Models of Mixtures with Species Interconversion. Proc. Nat'l. Acad. Sci. USA, 120, e2215012120, 2023. |
|
| (300) | P.M. Piaggi, T.E. Gartner, R. Car and P.G. Debenedetti, Melting Curves of Ice Polymorphs in the Vicinity of the Liquid-Liquid Critical Point. J. Chem. Phys. 159, 054502, 2023. |
|
| (301) | P.M. Piaggi, R. Car, F.H. Stillinger and P.G. Debenedetti, Critical Behavior in a Chiral Molecular Model. J. Chem. Phys. 159, 114502, 2023. |
|
| (302) | P.G. Debenedetti, Autobiography of Pablo G. Debenedetti. J. Phys. Chem. B, 127, 8079, 2023. |
|
| (303) | T.E. Gartner, A.L. Ferguson and P.G. Debenedetti, Data-driven Molecular Design and Simulation in Modern Chemical Engineering. Nature Chem. Eng., 1, 6, 2024. |
|
| (304) | P.M. Piaggi, A. Selloni, A.Z. Panagiotopoulos, R. Car and P.G. Debenedetti, A First-Principles Machine-Learning Force Field for Heterogeneous Ice Nucleation on Microcline Feldspar. Faraday Discuss., 249, 98, 2024. |
|
| (305) | F. Sciortino, T.E. Gartner and P.G. Debenedetti, Free-Energy Landscape and Spinodals for the Liquid-Liquid Transition of the TIP4P/2005 and TIP4P/Ice Models of Water. J. Chem. Phys. 160, 104501, 2024. |
|
| (306) | P.G. Debenedetti, Y.-Y. Kim, F.C. Meldrum and H. Tanaka, Special Topic Preface: Nucleation - Current Understanding Approaching 150 Years After Gibbs. J. Chem. Phys. 160, 100401, 2024. |
|
| (307) | M.A. Anisimov, P.G. Debenedetti, S.C. Greer and M.R. Moldover, Anneke Levelt-Sengers: An International Authority in the Thermodynamics of Fluids and a Passionate Advocate for Women in Science. Proc. Nat'l. Acad. Sci. USA, 121, e2414585121, 2024. |
|
Chapters in Books
| (C01) | P.G. Debenedetti, C. Vayenas, I.V. Yentekakis and L. Hegedus, Mathematical Modeling of Cross-Flow Solid State Electrochemical Reactors. ACS Symp. Ser. No. 237, Ch.10, 1984. | |
| (C02) | P.G. Debenedetti and R. C. Reid, Binary Diffusion in Supercritical Fluids. p. 225 in Proc. Tech. Proceedings 3, Supercritical Fluid Technology, J.M.L. Penninger, M. Radosz, M.A. McHugh and V.J. Krukonis, eds., Elsevier Science Publishers, Amsterdam, 1985. | |
| (C03) | R. S. Mohamed, D. S. Halverson, P. G. Debenedetti and R. K. Prud'homme, Solids Formation Following the Expansion of Supercritical Mixtures. Supercritical Science and Technology, K.P.Johnston and J.M.L. Penninger, eds., ACS Symp. Ser. No. 406, Ch.23, 1989. | |
| (C04) | L. L. Lee, P. G. Debenedetti and H. D. Cochran, Fluctuation Theory of Supercritical Solutions. In Supercritical Fluid Technology, Reviews in Modern Theory and Applications, J. F. Ely and T. J. Bruno, eds., CRC Press, Ch. 4, 1991. | |
| (C05) | B.L. Knutson, D.L. Tomasko, C.A. Eckert, P.G. Debenedetti and A.A. Chialvo., Local Density Augmentation in Supercritical Solutions: a Comparison Between Fluorescence Spectroscopy and Molecular Dynamics Results. In Supercritical Fluid Technology. Theoretical and Applied Approaches in Analytical Chemistry, F.Bright and M.E.P. McNally, eds., ACS Symp. Ser. No. 488, Ch. 5, 1992. | |
| (C06) | J.W. Tom, G-B. Lim, Debenedetti, P.G. and R.K. Prud'homme., Applications of Supercritical Fluids in Controlled Release of Drugs. In Supercritical Engineering Science: Fundamentals and Applications, E. Kiran and J.F. Brennecke, eds., ACS Symp. Ser. No. 514, Ch. 19, 1993. | |
| (C07) | P.G. Debenedetti, Supercritical Fluids as Particle Formation Media. In Supercritical Fluids - Fundamentals for Application, E. Kiran and J.M.H. Levelt Sengers, eds., NATO ASI, Ser. E, 273, 719, 1994. | |
| (C08) | P.G. Debenedetti, Solute-Solute Interactions: Theory and Simulation. In Supercritical Fluids - Fundamentals for Application, E. Kiran and J.M.H. Levelt Sengers, eds., NATO ASI, Ser. E,, 273, 439, 1994. | |
| (C09) | B.L. Knutson, J.W. Tom and P.G. Debenedetti, Preparation of Microparticulates Using Supercritical Fluids. In Microparticulate Systems for the Delivery of Proteins and Vaccines, S. Cohen and H. Bernstein, eds., Marcel Dekker, Inc., New York., Ch. 3, 1996. | |
| (C10) | P.G. Debenedetti, Phase Separation by Nucleation and Spinodal Decomposition: Fundamentals. In Supercritical Fluids - Fundamentals and Applications, E. Kiran, P.G. Debenedetti, and C.J. Peters, eds., NATO Science Series, Ser. E,, 366, 123, 2000. | |
| (C11) | P.G. Debenedetti, F.H. Stillinger, T.M. Truskett and C.P. Lewis, Theory of Supercooled Liquids and Glasses: Energy Landscape and Statistical Geometry Perspectives. In Molecular Modeling and Theory in Chemical Engineering, A. Chakraborty, ed., Adv. in Chem. Eng., 28, 21, 2001. | |
| (C12) | P.G. Debenedetti and R.M. Lynden-Bell, Properties of Liquids Made from Modified Water Models. In Water and Life. The Unique Properties of H2O, R.M. Lynden-Bell, S. Conway Morris, J.D. Barrow, J.L. Finney and C.L. Harper, Jr, eds., ch.6, CRC Press, 2010. |
Book Reviews
| (R01) | Supercritical Fluid Extraction. Principles and Practice, by M. McHugh and V. Krukonis, Butterworths, Boston, 1986, AIChEJ., 33, 1406 ,1987 | |
| (R02) | Molecular Dynamics Simulation. Elementary Methods, by J.M. Haile, Wiley, New York, 1992, AIChEJ., 39, 1097 ,1993 | |
| (R03) | Statistical Mechanics of Phase Transitions,. by J.M. Yeomans, Oxford University Press, 1992, J. Amer. Chem. Soc., 115, 12230 ,1993 | |
| (R04) | Innovations in Supercritical Fluids: Science and Technology,. edited by K.W. Hutchenson and N.R. Foster, ACS Symp. Ser. 608, American Chemical Society, Washington, DC, 1995, AIChEJ., 42, 2698 ,1996 | |
| (R05) | Chemical Thermodynamics: Basic Theory and Methods, 5th ed.,. by I.M. Klotz and M. Rosenberg, 1994, Chem. Eng. Educ., 30, 69 ,1996 |
Miscellaneous
| (M01) | One Substance, Two Liquids? Invited News and Views article. Nature, 392, 127, 1998. | |
| (M02) | D.A. Saville, W.B. Russel and P.G. Debenedetti, Bill Schowalter, Preface to Schowalter Festschrift Issue. Ind. Eng. Chem. Res., 41, 6215, 2002. | |
| (M03) | P.G. Debenedetti, B.L. Knutson, K.P. Johnston and J.F. Brennecke, In Honor of Charles A. Eckert, Preface to Eckert Festschrift Issue. Ind. Eng. Chem. Res., 42, 6263, 2003. | |
| (M04) | P.G. Debenedetti and S. Torquato, Frank H. Stillinger, Theoretical Chemist: a Tribute, Preface to Stillinger Festschrift Issue. J. Phys. Chem. B, 108, 19569, 2004. | |
| (M05) | When a Phase is Born. Invited News and Views article. Nature, 441, 168, 2006. | |
| (M06) | P.G. Debenedetti, T.K. Vanderlick, A.J. Myers and J.A. Quinn, In Honor of Eduardo Glandt, Preface to Glandt Festschrift Issue. Ind. Eng. Chem. Res., 45, 5419, 2006. | |
| (M07) | P.G. Debenedetti, Bill Russel: a Tribute, Preface to Russel Festschrift Issue. Ind. Eng. Chem. Res., 45, 6877, 2006. | |
| (M08) | Invited Journal Club article. Nature, 446, 835, 2007. | |
| (M09) | P.G. Debenedetti and S. Sarupria, Hydrate Molecular Ballet. Invited Perspectives article. Science, 326, 1070, 2009. | |
| (M10) | P.G. Debenedetti and S.C. Glotzer, Tribute to H. Eugene Stanley, Preface to H. Eugene Stanley Festschrift Issue. J. Phys. Chem. B, 115, 13963, 2011. | |
| (M11) | C. Vega, J.L.F. Abascal and P.G. Debenedetti, Physics and Chemistry of Water and Ice, Preface to Themed Issue on the Physics and Chemistry of Water and Ice. Phys. Chem. Chem. Phys., 13, 19660, 2011. | |
| (M12) | P.G. Debenedetti, Stretched to the Limit. Invited News and Views article. Nature Physics, 9, 7, 2013. | |
| (M13) | P.G. Debenedetti, P.H. Poole, S. Sastry and F. Sciortino, C. Austen Angell (1933 - 2021). Visionary Explorer of Glasses and the Limits of the Liquid State. Nature, 593, 336, 2021. |
Patents
| (P01) | Formation of Protein Microparticles by Anti-Solvent Precipitation, Australian Patent 668367,. August 20, 1996 [with G.-B. Lim and R.K. Prud'homme], | |
| (P02) | Formation of Protein Microparticles by Anti-Solvent Precipitation, European Patent EP 0542314 B1,. October 29, 1998 [with G.-B. Lim and R.K. Prud'homme], | |
| (P03) | Preparation of Protein Microparticles by Supercritical Fluid Precipitation, US Patent 6,063,910,. May 16, 2000 [with G.-B. Lim and R.K. Prud'homme], |
