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Peter J. Rossky - Publications

Affiliations: 
University of Texas at Austin, Austin, Texas, U.S.A. 
Area:
Condensed Phase Chemical Dynamics
Website:
http://www.cm.utexas.edu/peter_rossky
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210 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Gao J, Rossky PJ. The Age of Direct Chemical Dynamics. Accounts of Chemical Research. 55: 471-472. PMID 35164506 DOI: 10.1021/acs.accounts.2c00021  0.428
2015 Hu Z, Willard AP, Ono RJ, Bielawski CW, Rossky PJ, Vanden Bout DA. An insight into non-emissive excited states in conjugated polymers. Nature Communications. 6: 8246. PMID 26391514 DOI: 10.1038/Ncomms9246  0.645
2014 Videla PE, Rossky PJ, Laria D. Surface Isotope Segregation as a Probe of Temperature in Water Nanoclusters. The Journal of Physical Chemistry Letters. 5: 2375-9. PMID 26279562 DOI: 10.1021/Jz501043K  0.359
2014 Smith KK, Poulsen JA, Cunsolo A, Rossky PJ. Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation. The Journal of Chemical Physics. 140: 034501. PMID 25669394 DOI: 10.1063/1.4851997  0.364
2013 Hu Z, Adachi T, Lee YG, Haws RT, Hanson B, Ono RJ, Bielawski CW, Ganesan V, Rossky PJ, Vanden Bout DA. Effect of the side-chain-distribution density on the single-conjugated-polymer-chain conformation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 4143-8. PMID 24243782 DOI: 10.1002/Cphc.201300751  0.303
2013 Videla PE, Rossky PJ, Laria D. Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures. The Journal of Chemical Physics. 139: 174315. PMID 24206306 DOI: 10.1063/1.4827935  0.395
2013 Videla PE, Rossky PJ, Laria D. A quantum molecular dynamics study of aqueous solvation dynamics. The Journal of Chemical Physics. 139: 164506. PMID 24182048 DOI: 10.1063/1.4826347  0.448
2013 Sharma S, Kumar SK, Buldyrev SV, Debenedetti PG, Rossky PJ, Stanley HE. A coarse-grained protein model in a water-like solvent. Scientific Reports. 3: 1841. PMID 23674146 DOI: 10.1038/Srep01841  0.317
2013 Dowdle JR, Buldyrev SV, Stanley HE, Debenedetti PG, Rossky PJ. Temperature and length scale dependence of solvophobic solvation in a single-site water-like liquid. The Journal of Chemical Physics. 138: 064506. PMID 23425478 DOI: 10.1063/1.4789981  0.376
2013 Jailaubekov AE, Willard AP, Tritsch JR, Chan WL, Sai N, Gearba R, Kaake LG, Williams KJ, Leung K, Rossky PJ, Zhu XY. Hot charge-transfer excitons set the time limit for charge separation at donor/acceptor interfaces in organic photovoltaics. Nature Materials. 12: 66-73. PMID 23223125 DOI: 10.1038/Nmat3500  0.652
2012 Ferguson AL, Giovambattista N, Rossky PJ, Panagiotopoulos AZ, Debenedetti PG. A computational investigation of the phase behavior and capillary sublimation of water confined between nanoscale hydrophobic plates. The Journal of Chemical Physics. 137: 144501. PMID 23061849 DOI: 10.1063/1.4755750  0.349
2012 Turi L, Rossky PJ. Theoretical studies of spectroscopy and dynamics of hydrated electrons. Chemical Reviews. 112: 5641-74. PMID 22954423 DOI: 10.1021/Cr300144Z  0.372
2012 Romero-Vargas Castrillón S, Matysiak S, Stillinger FH, Rossky PJ, Debenedetti PG. Thermal stability of hydrophobic helical oligomers: a lattice simulation study in explicit water. The Journal of Physical Chemistry. B. 116: 9963-70. PMID 22877080 DOI: 10.1021/Jp305134W  0.302
2012 Romero-Vargas Castrillón S, Matysiak S, Stillinger FH, Rossky PJ, Debenedetti PG. Phase behavior of a lattice hydrophobic oligomer in explicit water. The Journal of Physical Chemistry. B. 116: 9540-8. PMID 22823886 DOI: 10.1021/Jp3039237  0.34
2012 Matysiak S, Debenedetti PG, Rossky PJ. Role of hydrophobic hydration in protein stability: a 3D water-explicit protein model exhibiting cold and heat denaturation. The Journal of Physical Chemistry. B. 116: 8095-104. PMID 22725973 DOI: 10.1021/Jp3039175  0.345
2012 Head-Gordon T, Lynden-Bell RM, Dowdle JR, Rossky PJ. Predicting cavity formation free energy: how far is the Gaussian approximation valid? Physical Chemistry Chemical Physics : Pccp. PMID 22495173 DOI: 10.1039/C2Cp00046F  0.386
2012 Giovambattista N, Rossky PJ, Debenedetti PG. Computational studies of pressure, temperature, and surface effects on the structure and thermodynamics of confined water. Annual Review of Physical Chemistry. 63: 179-200. PMID 22475337 DOI: 10.1146/Annurev-Physchem-032811-112007  0.342
2012 Su Z, Buldyrev SV, Debenedetti PG, Rossky PJ, Eugene Stanley H. Modeling simple amphiphilic solutes in a Jagla solvent. The Journal of Chemical Physics. 136: 044511. PMID 22299895 DOI: 10.1063/1.3677185  0.373
2011 Matysiak S, Debenedetti PG, Rossky PJ. Dissecting the energetics of hydrophobic hydration of polypeptides. The Journal of Physical Chemistry. B. 115: 14859-65. PMID 22035038 DOI: 10.1021/Jp2079633  0.331
2011 Stirnemann G, Castrillón SR, Hynes JT, Rossky PJ, Debenedetti PG, Laage D. Non-monotonic dependence of water reorientation dynamics on surface hydrophilicity: competing effects of the hydration structure and hydrogen-bond strength. Physical Chemistry Chemical Physics : Pccp. 13: 19911-7. PMID 21897944 DOI: 10.1039/C1Cp21916B  0.386
2011 Mones L, Rossky PJ, Turi L. Quantum-classical simulation of electron localization in negatively charged methanol clusters. The Journal of Chemical Physics. 135: 084501. PMID 21895193 DOI: 10.1063/1.3624366  0.374
2011 Lynden-Bell RM, Giovambattista N, Debenedetti PG, Head-Gordon T, Rossky PJ. Hydrogen bond strength and network structure effects on hydration of non-polar molecules. Physical Chemistry Chemical Physics : Pccp. 13: 2748-57. PMID 21152590 DOI: 10.1039/C0Cp01701A  0.361
2011 Cerdeiriña CA, Debenedetti PG, Rossky PJ, Giovambattista N. Evaporation length scales of confined water and some common organic liquids Journal of Physical Chemistry Letters. 2: 1000-1003. DOI: 10.1021/Jz200319G  0.303
2010 Rossky PJ, Walker GC. Retrospective. Paul F. Barbara (1953-2010). Science (New York, N.Y.). 330: 1191. PMID 21109661 DOI: 10.1126/Science.1199894  0.318
2010 Stirnemann G, Rossky PJ, Hynes JT, Laage D. Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surface. Faraday Discussions. 146: 263-81; discussion 2. PMID 21043427 DOI: 10.1039/B925673C  0.377
2010 Rossky PJ. Exploring nanoscale hydrophobic hydration. Faraday Discussions. 146: 13-8; discussion 79-. PMID 21043410 DOI: 10.1039/C005270C  0.313
2010 Mones L, Rossky PJ, Turi L. Analysis of localization sites for an excess electron in neutral methanol clusters using approximate pseudopotential quantum-mechanical calculations. The Journal of Chemical Physics. 133: 144510. PMID 20950020 DOI: 10.1063/1.3503506  0.321
2010 Dalvi VH, Rossky PJ. Molecular origins of fluorocarbon hydrophobicity. Proceedings of the National Academy of Sciences of the United States of America. 107: 13603-7. PMID 20643968 DOI: 10.1073/Pnas.0915169107  0.766
2010 Bedard-Hearn MJ, Sterpone F, Rossky PJ. Nonadiabatic simulations of exciton dissociation in poly-p-phenylenevinylene oligomers. The Journal of Physical Chemistry. A. 114: 7661-70. PMID 20597491 DOI: 10.1021/Jp103446Z  0.39
2010 Dalvi VH, Srinivasan V, Rossky PJ. Understanding the effectiveness of fluorocarbon ligands in dispersing nanoparticles in supercritical carbon dioxide Journal of Physical Chemistry C. 114: 15553-15561. DOI: 10.1021/Jp102047E  0.741
2010 Dalvi VH, Srinivasan V, Rossky PJ. Understanding the relative effectiveness of alkanethiol ligands in dispersing nanoparticles in supercritical carbon dioxide and ethane Journal of Physical Chemistry C. 114: 15562-15573. DOI: 10.1021/Jp102045S  0.733
2009 Giovambattista N, Debenedetti PG, Rossky PJ. Enhanced surface hydrophobicity by coupling of surface polarity and topography. Proceedings of the National Academy of Sciences of the United States of America. 106: 15181-5. PMID 19706474 DOI: 10.1073/Pnas.0905468106  0.319
2009 Turi L, Hantal G, Rossky PJ, Borgis D. Nuclear quantum effects in electronically adiabatic quantum time correlation functions: application to the absorption spectrum of a hydrated electron. The Journal of Chemical Physics. 131: 024119. PMID 19603982 DOI: 10.1063/1.3173276  0.408
2009 Giovambattista N, Rossky PJ, Debenedetti PG. Effect of temperature on the structure and phase behavior of water confined by hydrophobic, hydrophilic, and heterogeneous surfaces. The Journal of Physical Chemistry. B. 113: 13723-34. PMID 19435300 DOI: 10.1021/Jp9018266  0.341
2009 Madarász A, Rossky PJ, Turi L. Interior- and surface-bound excess electron states in large water cluster anions. The Journal of Chemical Physics. 130: 124319. PMID 19334842 DOI: 10.1063/1.3094732  0.378
2009 Sterpone F, Bedard-Hearn MJ, Rossky PJ. Nonadiabatic mixed quantum-classical dynamic simulation of pi-stacked oligophenylenevinylenes. The Journal of Physical Chemistry. A. 113: 3427-30. PMID 19317436 DOI: 10.1021/Jp901229Z  0.377
2009 Giovambattista N, Rossky PJ, Debenedetti PG. Phase transitions induced by nanoconfinement in liquid water. Physical Review Letters. 102: 050603. PMID 19257497 DOI: 10.1103/Physrevlett.102.050603  0.323
2009 Schnitker J, Rossky PJ. Response to "comment on An electron-water pseudopotential for condensed phase simulation' " [J. Chem. Phys. 131, 037101 (2009)] Journal of Chemical Physics. 131. DOI: 10.1063/1.3175802  0.366
2008 Rossky PJ. Protein denaturation by urea: slash and bond. Proceedings of the National Academy of Sciences of the United States of America. 105: 16825-6. PMID 18974225 DOI: 10.1073/Pnas.0809224105  0.32
2008 Ishida T, Rossky PJ. Consequences of strong coupling between solvation and electronic structure in the excited state of a betaine dye. The Journal of Physical Chemistry. B. 112: 11353-60. PMID 18707072 DOI: 10.1021/Jp801660B  0.386
2008 Patel BA, Debenedetti PG, Stillinger FH, Rossky PJ. The effect of sequence on the conformational stability of a model heteropolymer in explicit water. The Journal of Chemical Physics. 128: 175102. PMID 18465941 DOI: 10.1063/1.2909974  0.328
2008 Sterpone F, Rossky PJ. Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state chain dynamics of PPV in the gas phase. The Journal of Physical Chemistry. B. 112: 4983-93. PMID 18380505 DOI: 10.1021/Jp711848Q  0.37
2008 Giovambattista N, Lopez CF, Rossky PJ, Debenedetti PG. Hydrophobicity of protein surfaces: Separating geometry from chemistry. Proceedings of the National Academy of Sciences of the United States of America. 105: 2274-9. PMID 18268339 DOI: 10.1073/Pnas.0708088105  0.329
2008 Lopez CF, Darst RK, Rossky PJ. Mechanistic elements of protein cold denaturation. The Journal of Physical Chemistry. B. 112: 5961-7. PMID 18181599 DOI: 10.1021/Jp075928T  0.307
2008 Hone TD, Poulsen JA, Rossky PJ, Manolopoulos DE. Comparison of approximate quantum simulation methods applied to normal liquid helium at 4 K. The Journal of Physical Chemistry. B. 112: 294-300. PMID 18027920 DOI: 10.1021/Jp075022N  0.4
2007 Buldyrev SV, Kumar P, Debenedetti PG, Rossky PJ, Stanley HE. Water-like solvation thermodynamics in a spherically symmetric solvent model with two characteristic lengths. Proceedings of the National Academy of Sciences of the United States of America. 104: 20177-82. PMID 18077365 DOI: 10.1073/Pnas.0708427104  0.389
2007 Borgis D, Rossky PJ, Turi L. Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron. The Journal of Chemical Physics. 127: 174508. PMID 17994828 DOI: 10.1063/1.2780868  0.387
2007 Patel BA, Debenedetti PG, Stillinger FH, Rossky PJ. A water-explicit lattice model of heat-, cold-, and pressure-induced protein unfolding. Biophysical Journal. 93: 4116-27. PMID 17766342 DOI: 10.1529/Biophysj.107.108530  0.318
2007 Giovambattista N, Debenedetti PG, Rossky PJ. Effect of surface polarity on water contact angle and interfacial hydration structure. The Journal of Physical Chemistry. B. 111: 9581-7. PMID 17658789 DOI: 10.1021/Jp071957S  0.322
2007 Madarász A, Rossky PJ, Turi L. Excess electron relaxation dynamics at water/air interfaces. The Journal of Chemical Physics. 126: 234707. PMID 17600435 DOI: 10.1063/1.2741514  0.417
2007 Pizzitutti F, Marchi M, Sterpone F, Rossky PJ. How protein surfaces induce anomalous dynamics of hydration water. The Journal of Physical Chemistry. B. 111: 7584-90. PMID 17564431 DOI: 10.1021/Jp0717185  0.359
2007 Poulsen JA, Scheers J, Nyman G, Rossky PJ. Quantum density fluctuations in liquid neon from linearized path-integral calculations Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.224505  0.319
2007 Giovambattista N, Debenedetti PG, Rossky PJ. Hydration behavior under confinement by nanoscale surfaces with patterned hydrophobicity and hydrophilicity Journal of Physical Chemistry C. 111: 1323-1332. DOI: 10.1021/Jp065419B  0.317
2006 Poulsen JA, Nyman G, Rossky PJ. Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and He(4). Journal of Chemical Theory and Computation. 2: 1482-91. PMID 26627018 DOI: 10.1021/Ct600167S  0.399
2006 Kim H, Hwang H, Rossky PJ. Quantum simulation of solution phase intramolecular electron transfer rates in betaine-30. The Journal of Physical Chemistry. A. 110: 11223-9. PMID 17004730 DOI: 10.1021/Jp063222D  0.622
2006 Kim H, Rossky PJ. Evaluation of quantum correlation functions from classical data: Anharmonic models. The Journal of Chemical Physics. 125: 074107. PMID 16942322 DOI: 10.1063/1.2274412  0.359
2006 Kim H, Rossky PJ. Quantum corrections to classical evaluation of nonadiabatic transition rates. The Journal of Chemical Physics. 125: 66101. PMID 16942315 DOI: 10.1063/1.2217443  0.349
2006 Borgis D, Rossky PJ, Turi L. Quantized time correlation function approach to nonadiabatic decay rates in condensed phase: application to solvated electrons in water and methanol. The Journal of Chemical Physics. 125: 64501. PMID 16942292 DOI: 10.1063/1.2221685  0.441
2006 Turi L, Madarász A, Rossky PJ. Excess electron localization sites in neutral water clusters. The Journal of Chemical Physics. 125: 014308. PMID 16863299 DOI: 10.1063/1.2213965  0.348
2006 Giovambattista N, Rossky PJ, Debenedetti PG. Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 73: 041604. PMID 16711818 DOI: 10.1103/Physreve.73.041604  0.34
2006 Hone TD, Rossky PJ, Voth GA. A comparative study of imaginary time path integral based methods for quantum dynamics. The Journal of Chemical Physics. 124: 154103. PMID 16674214 DOI: 10.1063/1.2186636  0.415
2005 Wei CY, Kim YH, Darst RK, Rossky PJ, Vanden Bout DA. Origins of nonexponential decay in single molecule measurements of rotational dynamics. Physical Review Letters. 95: 173001. PMID 16383825 DOI: 10.1103/Physrevlett.95.173001  0.319
2005 Turi L, Sheu WS, Rossky PJ. Characterization of excess electrons in water-cluster anions by quantum simulations. Science (New York, N.Y.). 309: 914-7. PMID 16081731 DOI: 10.1126/Science.1115808  0.391
2005 Poulsen JA, Nyman G, Rossky PJ. Static and dynamic quantum effects in molecular liquids: a linearized path integral description of water. Proceedings of the National Academy of Sciences of the United States of America. 102: 6709-14. PMID 15860585 DOI: 10.1073/Pnas.0408647102  0.449
2005 Garrett BC, Dixon DA, Camaioni DM, Chipman DM, Johnson MA, Jonah CD, Kimmel GA, Miller JH, Rescigno TN, Rossky PJ, Xantheas SS, Colson SD, Laufer AH, Ray D, Barbara PF, et al. Role of water in electron-initiated processes and radical chemistry: issues and scientific advances. Chemical Reviews. 105: 355-90. PMID 15720157 DOI: 10.1021/Cr030453X  0.315
2004 Turi L, Rossky PJ. Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution. The Journal of Chemical Physics. 120: 3688-98. PMID 15268531 DOI: 10.1063/1.1642609  0.43
2004 Hwang H, Rossky PJ. An analysis of electronic dephasing in the spin-boson model. The Journal of Chemical Physics. 120: 11380-5. PMID 15268171 DOI: 10.1063/1.1742979  0.584
2004 Poulsen JA, Nyman G, Rossky PJ. Determination of the Van Hove spectrum of liquid He(4): An application of the Feynman-Kleinert linearized path integral methodology Journal of Physical Chemistry A. 108: 8743-8751. DOI: 10.1021/Jp049281D  0.321
2004 Ishida T, Rossky PJ, Edward WC. A theoretical investigation of the shape and hydration properties of aqueous urea: Evidence for nonplanar urea geometry Journal of Physical Chemistry B. 108: 17583-17590. DOI: 10.1021/Jp0473218  0.382
2004 Poulsen JA, Nyman G, Rossky PJ. Quantum diffusion in liquid para-hydrogen: An application of the Feynman-Kleinert linearized path integral approximation Journal of Physical Chemistry B. 108: 19799-19808. DOI: 10.1021/Jp040425Y  0.321
2004 Wong KF, Bagchi B, Rossky PJ. Distance and orientation dependence of excitation transfer rates in conjugated systems: Beyond the förster theory Journal of Physical Chemistry A. 108: 5752-5763. DOI: 10.1021/Jp037724S  0.56
2004 Hwang H, Rossky PJ. Harmonic Model Description of the Franck-Condon Density for a Betaine Dye Molecule Journal of Physical Chemistry A. 108: 2607-2616. DOI: 10.1021/Jp0370324  0.525
2004 Hwang H, Rossky PJ. Electronic decoherence induced by intramolecular vibrational motions in a betaine dye molecule Journal of Physical Chemistry B. 108: 6723-6732. DOI: 10.1021/Jp037031B  0.528
2004 Barsegov V, Rossky PJ. Constructing quantum dynamics from mixed quantum-classical descriptions Chemical Physics. 296: 103-115. DOI: 10.1016/J.Chemphys.2003.08.020  0.66
2003 Poulsen JA, Nyman G, Rossky PJ. Practical evaluation of condensed phase quantum correlation functions: A Feynman-Kleinert variational linearized path integral method Journal of Chemical Physics. 119: 12179-12193. DOI: 10.1063/1.1626631  0.359
2003 Stone MT, Da Rocha SRP, Rossky PJ, Johnston KP. Molecular differences between hydrocarbon and fluorocarbon surfactants at the CO2/water interface Journal of Physical Chemistry B. 107: 10185-10192. DOI: 10.1021/Jp035422K  0.333
2002 Poulsen JA, Nyman G, Rossky PJ. A second-order Kubo response theory-centroid approach to vibrational energy relaxation for single-mode excitations Journal of Chemical Physics. 117: 11277-11283. DOI: 10.1063/1.1522376  0.334
2002 Wong KF, Rossky PJ. Solvent-induced electronic decoherence: Configuration dependent dissipative evolution for solvated electron systems Journal of Chemical Physics. 116: 8429-8438. DOI: 10.1063/1.1468887  0.608
2002 Wong KF, Rossky PJ. Dissipative mixed quantum-classical simulation of the aqueous solvated electron system Journal of Chemical Physics. 116: 8418-8428. DOI: 10.1063/1.1468886  0.618
2002 Da Rocha SRP, Johnston KP, Rossky PJ. Surfactant-modified CO2-water interface: A molecular view Journal of Physical Chemistry B. 106: 13250-13261. DOI: 10.1021/Jp021485B  0.36
2002 Kim H, Rossky PJ. Evaluation of quantum correlation functions from classical data Journal of Physical Chemistry B. 106: 8240-8247. DOI: 10.1021/Jp020669N  0.342
2002 Kubo M, Levy RM, Rossky PJ, Matubayasi N, Nakahara M. Chloride ion hydration and diffusion in supercritical water using a polarizable water model Journal of Physical Chemistry B. 106: 3979-3986. DOI: 10.1021/Jp013743V  0.532
2001 Rossky PJ. Physical chemistry. Molecules at the edge. Nature. 410: 645, 647-8. PMID 11287936 DOI: 10.1038/35070698  0.331
2001 Poulsen JA, Rossky PJ. Path integral centroid molecular-dynamics evaluation of vibrational energy relaxation in condensed phase Journal of Chemical Physics. 115: 8024-8031. DOI: 10.1063/1.1408618  0.386
2001 Poulsen JA, Rossky PJ. An ansatz-based variational path integral centroid approach to vibrational energy relaxation in simple liquids Journal of Chemical Physics. 115: 8014-8023. DOI: 10.1063/1.1408617  0.366
2001 Yang CY, Wong KF, Skaf MS, Rossky PJ. Instantaneous normal mode analysis of hydrated electron solvation dynamics Journal of Chemical Physics. 114: 3598-3611. DOI: 10.1063/1.1343871  0.633
2001 Da Rocha SRP, Johnston KP, Westacott RE, Rossky PJ. Molecular structure of the water-supercritical CO2 interface Journal of Physical Chemistry B. 105: 12092-12104. DOI: 10.1021/Jp012439Z  0.365
2001 Hyun JK, Johnston KP, Rossky PJ. Structural and dynamical origins of ionic mobilities in supercritical water Journal of Physical Chemistry B. 105: 9302-9307. DOI: 10.1021/Jp011465U  0.393
2001 Wong KF, Skaf MS, Yang CY, Rossky PJ, Bagchi B, Hu D, Yu J, Barbara PF. Structural and electronic characterization of chemical and conformational defects in conjugated polymers Journal of Physical Chemistry B. 105: 6103-6107. DOI: 10.1021/Jp010392B  0.527
2001 Westacott RE, Johnston KP, Rossky PJ. Stability of ionic and radical molecular dissociation pathways for reaction in supercritical water Journal of Physical Chemistry B. 105: 6611-6619. DOI: 10.1021/Jp010005Y  0.365
2001 Ishida T, Rossky PJ. Solvent effects on solute electronic structure and properties: Theoretical study of a betaine dye molecule in polar solvents Journal of Physical Chemistry A. 105: 558-565. DOI: 10.1021/Jp0041104  0.388
2001 Wong KF, Rossky PJ. Mean-field molecular dynamics with surface hopping: Application to the aqueous solvated electron Journal of Physical Chemistry A. 105: 2546-2556. DOI: 10.1021/Jp0037652  0.556
2001 Lockwood DM, Hwang H, Rossky PJ. Electronic decoherence in condensed phases Chemical Physics. 268: 285-293. DOI: 10.1016/S0301-0104(01)00302-0  0.754
2001 Lockwood DM, Cheng YK, Rossky PJ. Electronic decoherence for electron transfer in blue copper proteins Chemical Physics Letters. 345: 159-165. DOI: 10.1016/S0009-2614(01)00855-7  0.781
2001 Poulsen J, Keiding SR, Rossky PJ. Extracting rates of vibrational energy relaxation from centroid molecular dynamics Chemical Physics Letters. 336: 488-494. DOI: 10.1016/S0009-2614(01)00136-1  0.384
2000 Hu D, Yu J, Wong K, Bagchi B, Rossky PJ, Barbara PF. Collapse of stiff conjugated polymers with chemical defects into ordered, cylindrical conformations Nature. 405: 1030-3. PMID 10890438 DOI: 10.1038/35016520  0.523
2000 Lockwood DM, Rossky PJ, Levy RM. Functional Group Contributions to Partial Molar Compressibilities of Alcohols in Water Journal of Physical Chemistry B. 104: 4210-4217. DOI: 10.1021/Jp994197X  0.771
2000 Lobaugh J, Rossky PJ. Solvent and intramolecular effects on the absorption spectrum of betaine-30 Journal of Physical Chemistry A. 104: 899-907. DOI: 10.1021/Jp993444U  0.423
2000 Soper AK, Rossky PJ. Liquid water and aqueous solutions: Preface Chemical Physics. 258: 107-108. DOI: 10.1016/S0301-0104(00)00187-7  0.331
2000 Turi L, Mináry P, Rossky PJ. Non-linear response and hydrogen bond dynamics for electron solvation in methanol Chemical Physics Letters. 316: 465-470. DOI: 10.1016/S0009-2614(99)01328-7  0.424
2000 Rossky PJ. Perspective on “Correlations in the motion of atoms in liquid argon” Theoretical Chemistry Accounts. 103: 263-264. DOI: 10.1007/978-3-662-10421-7_29  0.312
1999 Cheng YK, Rossky PJ. The effect of vicinal polar and charged groups on hydrophobic hydration. Biopolymers. 50: 742-50. PMID 10547529 DOI: 10.1002/(Sici)1097-0282(199912)50:7<742::Aid-Bip7>3.0.Co;2-6  0.378
1999 Mináry P, Turi L, Rossky PJ. Nonadiabatic molecular dynamics simulation of photoexcitation experiments for the solvated electron in methanol Journal of Chemical Physics. 110: 10953-10962. DOI: 10.1063/1.479032  0.452
1999 Lobaugh J, Rossky PJ. Computer Simulation of the Excited State Dynamics of Betaine-30 in Acetonitrile Journal of Physical Chemistry A. 103: 9432-9447. DOI: 10.1021/Jp991604W  0.461
1999 Lockwood DM, Rossky PJ. Evaluation of functional group contributions to excess volumetric properties of solvated molecules Journal of Physical Chemistry B. 103: 1982-1990. DOI: 10.1021/Jp984297N  0.786
1999 Mosyak AA, Prezhdo OV, Rossky PJ. The role of specific solvent modes in the non-radiative relaxation of an excess electron in methanol Journal of Molecular Structure. 485: 545-554. DOI: 10.1016/S0022-2860(99)00189-1  0.582
1998 Cheng YK, Rossky PJ. Surface topography dependence of biomolecular hydrophobic hydration. Nature. 392: 696-9. PMID 9565030 DOI: 10.1038/33653  0.332
1998 Prezhdo OV, Rossky PJ. Relationship between quantum decoherence times and solvation dynamics in condensed phase chemical systems Physical Review Letters. 81: 5294-5297. DOI: 10.1103/Physrevlett.81.5294  0.373
1998 Prezhdo OV, Rossky PJ. Relationship between Quantum Decoherence Times and Solvation Dynamics in Condensed Phase Chemical Systems Physical Review Letters. 81: 5294-5297. DOI: 10.1103/PhysRevLett.81.5294  0.455
1998 Mosyak AA, Prezhdo OV, Rossky PJ. Solvation dynamics of an excess electron in methanol and water Journal of Chemical Physics. 109: 6390-6395. DOI: 10.1063/1.477282  0.59
1998 Balbuena PB, Johnston KP, Rossky PJ, Hyun JK. Aqueous ion transport properties and water reorientation dynamics from ambient to supercritical conditions Journal of Physical Chemistry B. 102: 3806-3814. DOI: 10.1021/Jp972870H  0.363
1998 Mosyak A, Rossky PJ, Turi L. A dynamical analysis of energy level fluctuations for an excess electron in methanol Chemical Physics Letters. 282: 239-244. DOI: 10.1016/S0009-2614(97)01336-5  0.401
1997 Bittner ER, Rossky PJ. Decoherent histories and nonadiabatic quantum molecular dynamics simulations Journal of Chemical Physics. 107: 8611-8618. DOI: 10.1063/1.475013  0.624
1997 Turi L, Mosyak A, Rossky PJ. Equilibrium structure, fluctuations, and spectroscopy of a solvated electron in methanol Journal of Chemical Physics. 107: 1970-1980. DOI: 10.1063/1.474549  0.419
1997 Prezhdo OV, Rossky PJ. Mean-field molecular dynamics with surface hopping The Journal of Chemical Physics. 107: 825-834. DOI: 10.1063/1.474382  0.548
1997 Prezhdo OV, Rossky PJ. Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations Journal of Chemical Physics. 107: 5863-5878. DOI: 10.1063/1.474312  0.38
1997 Prezhdo OV, Rossky PJ. Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations The Journal of Chemical Physics. 107: 5863-5878. DOI: 10.1063/1.474312  0.472
1997 Cortis CM, Rossky PJ, Friesner RA. A three-dimensional reduction of the Ornstein-Zernicke equation for molecular liquids Journal of Chemical Physics. 107: 6400-6414. DOI: 10.1063/1.474300  0.359
1997 Flanagin LW, Balbuena PB, Johnston KP, Rossky PJ. Ion solvation in supercritical water based on an adsorption analogy Journal of Physical Chemistry B. 101: 7998-8005. DOI: 10.1021/Jp970897V  0.369
1997 Bittner ER, Schwartz BJ, Rossky PJ. Quantum decoherence: A consistent histories treatment of condensed-phase non-adiabatic quantum molecular dynamics Journal of Molecular Structure: Theochem. 389: 203-216. DOI: 10.1016/S0166-1280(96)04612-X  0.734
1996 Schwartz BJ, Rossky PJ. The isotope effect in solvation dynamics and nonadiabatic relaxation: A quantum simulation study of the photoexcited solvated electron in D2O The Journal of Chemical Physics. 105: 6997-7010. DOI: 10.1063/1.471989  0.706
1996 Schwartz BJ, Bittner ER, Prezhdo OV, Rossky PJ. Quantum decoherence and the isotope effect in condensed phase nonadiabatic molecular dynamics simulations Journal of Chemical Physics. 104: 5942-5955. DOI: 10.1063/1.471326  0.778
1996 Prezhdo OV, Rossky PJ. Solvent mode participation in the nonradiative relaxation of the hydrated electron Journal of Physical Chemistry. 100: 17094-17102. DOI: 10.1021/Jp9611232  0.418
1996 Prezhdo OV, Rossky PJ. Solvent Mode Participation in the Nonradiative Relaxation of the Hydrated Electron The Journal of Physical Chemistry. 100: 17094-17102. DOI: 10.1021/jp9611232  0.425
1996 Sharp KA, Kumar S, Rossky PJ, Friedman RA, Honig B. Size dependence of transfer free energies. 2. Hard sphere models Journal of Physical Chemistry. 100: 14166-14177. DOI: 10.1021/Jp960668T  0.53
1996 Balbuena PB, Johnston KP, Rossky PJ. Molecular dynamics simulation of electrolyte solutions in ambient and supercritical water. 2. Relative acidity of HCl Journal of Physical Chemistry. 100: 2716-2722. DOI: 10.1021/Jp952195G  0.358
1996 Balbuena PB, Johnston KP, Rossky PJ. Molecular dynamics simulation of electrolyte solutions in ambient and supercritical water. 1. Ion solvation Journal of Physical Chemistry. 100: 2706-2715. DOI: 10.1021/Jp952194O  0.379
1996 Sheu WS, Rossky PJ. Electronic and solvent relaxation dynamics of a photoexcited aqueous halide Journal of Physical Chemistry. 100: 1295-1302. DOI: 10.1021/Jp9513531  0.426
1996 Johnston KP, Bennett GE, Balbuena PB, Rossky PJ. Continuum electrostatics model for ion solvation and relative acidity of HCl in supercritical water Journal of the American Chemical Society. 118: 6746-6752. DOI: 10.1021/Ja953558T  0.377
1996 Schwartz BJ, Rossky PJ. The isotope effect in solvation dynamics and nonadiabatic relaxation: A quantum simulation study of the photoexcited solvated electron in D2O Journal of Chemical Physics. 105: 6997-7010.  0.319
1995 Murphrey TH, Rossky PJ. Quantum dynamics simulation with approximate eigenstates The Journal of Chemical Physics. 103: 6665-6676. DOI: 10.1063/1.470397  0.358
1995 Bittner ER, Rossky PJ. Quantum decoherence in mixed quantum-classical systems: Nonadiabatic processes The Journal of Chemical Physics. 103: 8130-8143. DOI: 10.1063/1.470177  0.614
1995 Kumar SK, Szleifer I, Sharp K, Rossky PJ, Friedman R, Honig B. Size dependence of transfer free energies. 1. A Flory-Huggins approach Journal of Physical Chemistry. 99: 8382-8391. DOI: 10.1021/J100020A076  0.468
1995 Schwartz BJ, Rossky PJ. An Exploration of the Relationship between Solvation Dynamics and Spectrally Determined Solvent Response Functions by Computer Simulation The Journal of Physical Chemistry. 99: 2953-2958. DOI: 10.1021/J100010A004  0.667
1995 Balbuena PB, Johnston KP, Rossky PJ. Computer simulation study of an SN2 reaction in supercritical water Journal of Physical Chemistry. 99: 1554-1565. DOI: 10.1021/J100005A029  0.302
1995 Keszei E, Murphrey TH, Rossky PJ. Electron hydration dynamics: Simulation results compared to pump and probe experiments Journal of Physical Chemistry®. 99: 22-28. DOI: 10.1021/J100001A005  0.395
1995 Schwartz BJ, Rossky PJ. The interplay of dielectric and mechanical relaxation in solvation dynamics Journal of Molecular Liquids. 83: 23-30. DOI: 10.1016/0167-7322(95)00841-5  0.676
1994 Schwartz BJ, Rossky PJ. Hydrated electrons as a probe of local anisotropy: Simulations of ultrafast polarization-dependent spectral hole burning. Physical Review Letters. 72: 3282-3285. PMID 10056153 DOI: 10.1103/Physrevlett.72.3282  0.635
1994 Rossky PJ, Simon JD. Dynamics of chemical processes in polar solvents. Nature. 370: 263-9. PMID 8035874 DOI: 10.1038/370263A0  0.395
1994 Schwartz BJ, Rossky PJ. Pump–probe spectroscopy of the hydrated electron: A quantum molecular dynamics simulation The Journal of Chemical Physics. 101: 6917-6926. DOI: 10.1063/1.468320  0.68
1994 Schwartz BJ, Rossky PJ. Aqueous solvation dynamics with a quantum mechanical Solute: Computer simulation studies of the photoexcited hydrated electron The Journal of Chemical Physics. 101: 6902-6916. DOI: 10.1063/1.468319  0.705
1994 Webster F, Wang ET, Rossky PJ, Friesner RA. Stationary phase surface hopping for nonadiabatic dynamics: Two-state systems The Journal of Chemical Physics. 100: 4835-4847. DOI: 10.1063/1.467204  0.368
1994 Lee SH, Rossky PJ. A comparison of the structure and dynamics of liquid water at Hydrophobic and hydrophilic surfaces - A molecular dynamics simulation study The Journal of Chemical Physics. 100: 3334-3345. DOI: 10.1063/1.466425  0.368
1994 Balbuena PB, Johnston KP, Rossky PJ. Molecular simulation of a chemical reaction in supercritical water Journal of the American Chemical Society. 116: 2689-2690. DOI: 10.1021/Ja00085A087  0.326
1994 Schwartz BJ, Rossky PJ. Dynamic Elements of Transient Spectral Hole Burning of the Hydrated Electron The Journal of Physical Chemistry. 98: 4489-4492. DOI: 10.1021/J100068A001  0.667
1994 Del Buono GS, Cohen TS, Rossky PJ. Effects of long-range interactions on the dynamics of ions in aqueous solution Journal of Molecular Liquids. 60: 221-236. DOI: 10.1016/0167-7322(94)00746-2  0.364
1994 Rosenthal SJ, Schwartz BJ, Rossky PJ. Calculated photon echo signals for the aqueous solvated electron. The origin of ultrafast electronic dephasing Chemical Physics Letters. 229: 443-448. DOI: 10.1016/0009-2614(94)01090-0  0.679
1994 Schwartz BJ, Rossky PJ. Pump-probe spectroscopy of the hydrated electron: A quantum molecular dynamics simulation The Journal of Chemical Physics. 101: 6917-6926.  0.307
1994 Schwartz BJ, Rossky PJ. Aqueous solvation dynamics with a quantum mechanical solute: Computer simulation studies of the photoexcited hydrated electron The Journal of Chemical Physics. 101: 6902-6916.  0.331
1993 Murphrey TH, Rossky PJ. The role of solvent intramolecular modes in excess electron solvation dynamics The Journal of Chemical Physics. 99: 515-522. DOI: 10.1063/1.466218  0.443
1993 Keszei E, Nagy S, Murphrey TH, Rossky PJ. Kinetic analysis of computer experiments on electron hydration dynamics Journal of Chemical Physics. 99: 2004-2011. DOI: 10.1063/1.465262  0.407
1993 Sheu WS, Rossky PJ. Charge-transfer-to-solvent spectra of an aqueous halide revisited via computer simulation Journal of the American Chemical Society. 115: 7729-7735. DOI: 10.1021/Ja00070A017  0.436
1993 Chen SWW, Rossky PJ. Influence of solvent and counterion on sodium-23(1+) spin relaxation in aqueous solution The Journal of Physical Chemistry. 97: 10803-10812. DOI: 10.1021/J100143A046  0.345
1993 Chen SWW, Rossky PJ. Potential of mean force for a sodium dimethyl phosphate ion pair in aqueous solution: A Further test of the extended RISM theory Journal of Physical Chemistry. 97: 6078-6082. DOI: 10.1021/J100124A049  0.332
1993 Sheu WS, Rossky PJ. The electronic dynamics of photoexcited aqueous iodide Chemical Physics Letters. 202: 186-190. DOI: 10.1016/0009-2614(93)85263-N  0.405
1993 Sheu WS, Rossky PJ. Dynamics of electron photodetachment from an aqueous halide ion Chemical Physics Letters. 213: 233-238. DOI: 10.1016/0009-2614(93)85125-8  0.394
1992 Motakabbir KA, Schnitker J, Rossky PJ. A comparison of classical and quantum analyses of electron localization sites in liquid water The Journal of Chemical Physics. 97: 2055-2060. DOI: 10.1063/1.463143  0.401
1992 Dang LX, Pettitt BM, Rossky PJ. On the correlation between like ion pairs in water The Journal of Chemical Physics. 96: 4046-4047. DOI: 10.1063/1.461859  0.641
1992 Del Buono GS, Rossky PJ, Murphrey TH. Diffusive transport of the hydrated electron: A pseudoclassical model Journal of Physical Chemistry. 96: 7761-7769. DOI: 10.1021/J100198A049  0.387
1992 Corrales LR, Rossky PJ. A novel semi-empirical potential for covalently bonded materials Chemical Physics Letters. 194: 363-369. DOI: 10.1016/0009-2614(92)86066-Q  0.345
1991 Webster FJ, Schnitker J, Friedrichs MS, Friesner RA, Rossky PJ. Solvation dynamics of the hydrated electron: A nonadiabatic quantum simulation. Physical Review Letters. 66: 3172-3175. PMID 10043717 DOI: 10.1103/Physrevlett.66.3172  0.438
1991 Del Buono GS, Rossky PJ, Schnitker J. Model dependence of quantum isotope effects in liquid water The Journal of Chemical Physics. 95: 3728-3737. DOI: 10.1063/1.460823  0.402
1991 Rossky PJ. Structure and Dynamics of Water at Interfaces Electrochimica Acta. 36: 1891. DOI: 10.1016/0013-4686(91)85064-E  0.345
1991 Webster F, Rossky PJ, Friesner RA. Nonadiabatic processes in condensed matter: semi-classical theory and implementation Computer Physics Communications. 63: 494-522. DOI: 10.1016/0010-4655(91)90272-M  0.332
1990 Rossky PJ. Quantum simulation of ultrafast spectroscopy Journal of the Optical Society of America B. 7: 1727. DOI: 10.1364/Josab.7.001727  0.406
1989 Motakabbir KA, Schnitker J, Rossky PJ. Transient photophysical hole-burning spectroscopy of the hydrated electron: A quantum dynamical simulation The Journal of Chemical Physics. 90: 6916-6924. DOI: 10.1063/1.456266  0.424
1989 Motakabbir KA, Rossky PJ. On the nature of pre-existing states for an excess electron in water Chemical Physics. 129: 253-262. DOI: 10.1016/0301-0104(89)80011-4  0.399
1988 Rossky PJ, Schnitker J. The hydrated electron: Quantum simulation of structure, spectroscopy, and dynamics Journal of Physical Chemistry. 92: 4277-4285. DOI: 10.1021/J100326A009  0.416
1987 Schnitker J, Rossky PJ. Quantum simulation study of the hydrated electron The Journal of Chemical Physics. 86: 3471-3485. DOI: 10.1063/1.452003  0.439
1987 Schnitker J, Rossky PJ. An electron-water pseudopotential for condensed phase simulation The Journal of Chemical Physics. 86: 3462-3470. DOI: 10.1063/1.452002  0.423
1987 Reddy MR, Rossky PJ, Murthy CS. Counterion spin relaxation in DNA solutions: A stochastic dynamics simulation study Journal of Physical Chemistry. 91: 4923-4933. DOI: 10.1021/J100303A010  0.31
1986 Rossky PJ. Hydrophobic and ionic hydration phenomena. Annals of the New York Academy of Sciences. 482: 115-26. PMID 3471101 DOI: 10.1111/J.1749-6632.1986.Tb20943.X  0.417
1986 Schnitker J, Rossky PJ, Kenney‐Wallace GA. Electron localization in liquid water: A computer simulation study of microscopic trapping sites The Journal of Chemical Physics. 85: 2986-2998. DOI: 10.1063/1.451008  0.412
1986 Zichi DA, Rossky PJ. Molecular conformational equilibria in liquids The Journal of Chemical Physics. 84: 1712-1723. DOI: 10.1063/1.450469  0.394
1986 Zichi DA, Rossky PJ. Solvent isotope effects on the thermodynamics of hydrophobic hydration The Journal of Chemical Physics. 84: 2823-2826. DOI: 10.1063/1.450308  0.398
1986 Zichi DA, Rossky PJ. Solvent molecular dynamics in regions of hydrophobic hydration The Journal of Chemical Physics. 84: 2814-2822. DOI: 10.1063/1.450307  0.413
1986 Pettitt BM, Rossky PJ. Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution The Journal of Chemical Physics. 84: 5836-5844. DOI: 10.1063/1.449894  0.651
1986 Pettitt BM, Karplus M, Rossky PJ. Integral equation model for aqueous solvation of polyatomic solutes: application to the determination of the free energy surface for the internal motion of biomolecules The Journal of Physical Chemistry. 90: 6335-6345. DOI: 10.1021/J100281A055  0.701
1986 Rossky PJ, Schnitker J, Kuharski RA. Quantum simulations of aqueous systems Journal of Statistical Physics. 43: 949-965. DOI: 10.1007/Bf02628322  0.448
1986 Montgomery Pettitt B, Rossky PJ. New Approaches to Solvent-Mediated Molecular Interactions Israel Journal of Chemistry. 27: 156-162. DOI: 10.1002/Ijch.198600024  0.375
1985 Rossky PJ. Theoretical studies of aqueous solution structure Pure and Applied Chemistry. 57: 1043-1050. DOI: 10.1351/Pac198557081043  0.396
1985 Zichi DA, Rossky PJ. The equilibrium solvation structure for the solvent‐separated hydrophobic bond The Journal of Chemical Physics. 83: 797-808. DOI: 10.1063/1.449495  0.405
1985 Kuharski RA, Rossky PJ. A quantum mechanical study of structure in liquid H2O and D2O The Journal of Chemical Physics. 82: 5164-5177. DOI: 10.1063/1.448641  0.374
1985 Kuharski RA, Rossky PJ. The contribution of intramolecular vibrations to the observed structure of liquid water The Journal of Chemical Physics. 82: 5289-5291. DOI: 10.1063/1.448606  0.323
1984 Lee C, McCammon JA, Rossky PJ. The structure of liquid water at an extended hydrophobic surface The Journal of Chemical Physics. 80: 4448-4455. DOI: 10.1063/1.447226  0.484
1984 Berkowitz M, Karim OA, McCammon J, Rossky PJ. Sodium chloride ion pair interaction in water: computer simulation Chemical Physics Letters. 105: 577-580. DOI: 10.1016/0009-2614(84)85660-2  0.462
1984 Kuharski RA, Rossky PJ. Quantum mechanical contributions to the structure of liquid water Chemical Physics Letters. 103: 357-362. DOI: 10.1016/0009-2614(84)80320-6  0.401
1984 Kuharski RA, Rossky PJ. Solvation of hydrophobic species in aqueous urea solution: a molecular dynamics study Journal of the American Chemical Society. 106: 5794-5800. DOI: 10.1002/Chin.198503060  0.338
1984 Kuharski RA, Rossky PJ. Molecular dynamics study of solvation in urea water solution Journal of the American Chemical Society. 106: 5786-5793. DOI: 10.1002/Chin.198503059  0.384
1983 Rossky PJ, Pettitt BM, Stell G. The coupling of long and short range correlations in ISM liquids Molecular Physics. 50: 1263-1271. DOI: 10.1080/00268978300103021  0.632
1983 Rossky PJ. Inconsistent dielectric behaviour of proposed hamiltonian models for ionic solutions Molecular Physics. 48: 615-618. DOI: 10.1080/00268978300100441  0.332
1983 Bacquet R, Rossky PJ. Corrections to the HNC equation for associating electrolytes The Journal of Chemical Physics. 79: 1419-1426. DOI: 10.1063/1.445902  0.308
1983 Hirata F, Rossky PJ, Pettitt BM. The interionic potential of mean force in a molecular polar solvent from an extended RISM equation The Journal of Chemical Physics. 78: 4133-4144. DOI: 10.1063/1.445090  0.649
1983 Pettitt BM, Rossky PJ. The contribution of hydrogen bonding to the structure of liquid methanol The Journal of Chemical Physics. 78: 7296-7299. DOI: 10.1063/1.444719  0.657
1983 PETTITT BM, ROSSKY PJ. ChemInform Abstract: THE CONTRIBUTION OF HYDROGEN BONDING TO THE STRUCTURE OF LIQUID METHANOL Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198337054  0.572
1982 Pettitt BM, Rossky PJ. Integral equation predictions of liquid state structure for waterlike intermolecular potentials The Journal of Chemical Physics. 77: 1451-1457. DOI: 10.1063/1.443972  0.653
1982 Hirata F, Pettitt BM, Rossky PJ. Application of an extended RISM equation to dipolar and quadrupolar fluids The Journal of Chemical Physics. 77: 509-520. DOI: 10.1063/1.443606  0.653
1982 Rossky PJ, Zichi DA. Molecular librations and solvent orientational correlations in hydrophobic phenomena Faraday Symposia of the Chemical Society. 17: 69. DOI: 10.1039/Fs9821700069  0.389
1981 Karplus M, Rossky PJ. SOLVATION OF A DIPEPTIDE BY WATER Annals of the New York Academy of Sciences. 367: 151-161. DOI: 10.1111/J.1749-6632.1981.Tb50566.X  0.545
1981 Hirata F, Rossky PJ. On the interpretation of solute induced solvent structure The Journal of Chemical Physics. 74: 5324-5326. DOI: 10.1063/1.441701  0.384
1981 Hirata F, Rossky PJ. A realization of ‘‘V structure’’ in liquid water The Journal of Chemical Physics. 74: 6867-6874. DOI: 10.1063/1.441096  0.369
1980 Rossky PJ, Dudowicz JB, Tembe BL, Friedman HL. Ionic association in model 2-2 electrolyte solutions The Journal of Chemical Physics. 73: 3372-3383. DOI: 10.1063/1.440533  0.517
1980 Rossky PJ, Karplus M. Spin dependent properties of perturbed wave functions: An analytic comparison of the exact, UHF, and spin‐projected UHF states The Journal of Chemical Physics. 73: 6196-6214. DOI: 10.1063/1.440115  0.513
1980 Rossky PJ, Karplus M. Generalized perturbed Hartree–Fock theory The Journal of Chemical Physics. 72: 6085-6101. DOI: 10.1063/1.439065  0.537
1980 Rossky PJ, Friedman HL. Benzene-benzene interaction in aqueous solution The Journal of Physical Chemistry. 84: 587-589. DOI: 10.1021/J100443A005  0.526
1979 Rossky PJ, Karplus M. Solvation. A molecular dynamics study of a dipeptide in water Journal of the American Chemical Society. 101: 1913-1937. DOI: 10.1021/Ja00502A001  0.591
1979 Rossky PJ, Karplus M, Rahman A. A model for the simulation of an aqueous dipeptide solution Biopolymers. 18: 825-854. DOI: 10.1002/Bip.1979.360180407  0.581
1978 Rossky PJ, Doll JD, Friedman HL. Brownian dynamics as smart Monte Carlo simulation The Journal of Chemical Physics. 69: 4628-4633. DOI: 10.1063/1.436415  0.55
1977 Rossky PJ, Karplus M. Model perturbation theoretic calculations with finite continuum basis sets The Journal of Chemical Physics. 67: 5419-5427. DOI: 10.1063/1.434762  0.557
1976 Rossky PJ, Karplus M. The enumeration of Goldstone diagrams in many‐body perturbation theory The Journal of Chemical Physics. 64: 1596-1603. DOI: 10.1063/1.432387  0.527
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