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Results: 1-25 | 26-28
Results: 1-25/28
Molecular structure of the water-supercritical CO2 interface
Authors: da Rocha, SRP Johnston, KP Westacott, RE Rossky, PJ
Citation: Srp. Da Rocha et al., Molecular structure of the water-supercritical CO2 interface, J PHYS CH B, 105(48), 2001, pp. 12092-12104
Structural and dynamical origins of ionic mobilities in supercritical water
Authors: Hyun, JK Johnston, KP Rossky, PJ
Citation: Jk. Hyun et al., Structural and dynamical origins of ionic mobilities in supercritical water, J PHYS CH B, 105(38), 2001, pp. 9302-9307
Stability of ionic and radical molecular dissociation pathways for reaction in supercritical water
Authors: Westacott, RE Johnston, KP Rossky, PJ
Citation: Re. Westacott et al., Stability of ionic and radical molecular dissociation pathways for reaction in supercritical water, J PHYS CH B, 105(28), 2001, pp. 6611-6619
Structural and electronic characterization of chemical and conformational defects in conjugated polymers
Authors: Wong, KF Skaf, MS Yang, CY Rossky, PJ Bagchi, B Hu, DH Yu, J Barbara, PF
Citation: Kf. Wong et al., Structural and electronic characterization of chemical and conformational defects in conjugated polymers, J PHYS CH B, 105(26), 2001, pp. 6103-6107
Solvent effects on solute electronic structure and properties: Theoreticalstudy of a betaine dye molecule in polar solvents
Authors: Ishida, T Rossky, PJ
Citation: T. Ishida et Pj. Rossky, Solvent effects on solute electronic structure and properties: Theoreticalstudy of a betaine dye molecule in polar solvents, J PHYS CH A, 105(3), 2001, pp. 558-565
Mean-field molecular dynamics with surface hopping: Application to the aqueous solvated electron
Authors: Wong, KF Rossky, PJ
Citation: Kf. Wong et Pj. Rossky, Mean-field molecular dynamics with surface hopping: Application to the aqueous solvated electron, J PHYS CH A, 105(12), 2001, pp. 2546-2556
Electronic decoherence in condensed phases
Authors: Lockwood, DM Hwang, H Rossky, PJ
Citation: Dm. Lockwood et al., Electronic decoherence in condensed phases, CHEM PHYS, 268(1-3), 2001, pp. 285-293
Physical chemistry - Molecules at the edge
Authors: Rossky, PJ
Citation: Pj. Rossky, Physical chemistry - Molecules at the edge, NATURE, 410(6829), 2001, pp. 645-648
An ansatz-based variational path integral centroid approach to vibrationalenergy relaxation in simple liquids
Authors: Poulsen, JA Rossky, PJ
Citation: Ja. Poulsen et Pj. Rossky, An ansatz-based variational path integral centroid approach to vibrationalenergy relaxation in simple liquids, J CHEM PHYS, 115(17), 2001, pp. 8014-8023
Path integral centroid molecular-dynamics evaluation of vibrational energyrelaxation in condensed phase
Authors: Poulsen, JA Rossky, PJ
Citation: Ja. Poulsen et Pj. Rossky, Path integral centroid molecular-dynamics evaluation of vibrational energyrelaxation in condensed phase, J CHEM PHYS, 115(17), 2001, pp. 8024-8031
Instantaneous normal mode analysis of hydrated electron solvation dynamics
Authors: Yang, CY Wong, KF Skaf, MS Rossky, PJ
Citation: Cy. Yang et al., Instantaneous normal mode analysis of hydrated electron solvation dynamics, J CHEM PHYS, 114(8), 2001, pp. 3598-3611
Electronic decoherence for electron transfer in blue copper proteins
Authors: Lockwood, DM Cheng, YK Rossky, PJ
Citation: Dm. Lockwood et al., Electronic decoherence for electron transfer in blue copper proteins, CHEM P LETT, 345(1-2), 2001, pp. 159-165
Extracting rates of vibrational energy relaxation from centroid molecular dynamics
Authors: Poulsen, J Keiding, SR Rossky, PJ
Citation: J. Poulsen et al., Extracting rates of vibrational energy relaxation from centroid molecular dynamics, CHEM P LETT, 336(5-6), 2001, pp. 488-494
Simulation of an S(N)1 reaction in supercritical water
Authors: Westacott, RE Johnston, KP Rossky, PJ
Citation: Re. Westacott et al., Simulation of an S(N)1 reaction in supercritical water, J AM CHEM S, 123(5), 2001, pp. 1006-1007
Functional group contributions to partial molar compressibilities of alcohols in water
Authors: Lockwood, DM Rossky, PJ Levy, RM
Citation: Dm. Lockwood et al., Functional group contributions to partial molar compressibilities of alcohols in water, J PHYS CH B, 104(17), 2000, pp. 4210-4217
Perspective on "Correlations in the motion of atoms in liquid argon" - Rahman A (1964) Phys Rev 136 : 405
Authors: Rossky, PJ
Citation: Pj. Rossky, Perspective on "Correlations in the motion of atoms in liquid argon" - Rahman A (1964) Phys Rev 136 : 405, THEOR CH AC, 103(3-4), 2000, pp. 263-264
Solvent and intramolecular effects on the absorption spectrum of betaine-30
Authors: Lobaugh, J Rossky, PJ
Citation: J. Lobaugh et Pj. Rossky, Solvent and intramolecular effects on the absorption spectrum of betaine-30, J PHYS CH A, 104(5), 2000, pp. 899-907
Liquid water and aqueous solutions - Preface
Authors: Soper, AK Rossky, PJ
Citation: Ak. Soper et Pj. Rossky, Liquid water and aqueous solutions - Preface, CHEM PHYS, 258(2-3), 2000, pp. 107-108
Hydration structure of the alpha-chymotrypsin substrate binding pocket: the impact of constrained geometry
Authors: Carey, C Cheng, YK Rossky, PJ
Citation: C. Carey et al., Hydration structure of the alpha-chymotrypsin substrate binding pocket: the impact of constrained geometry, CHEM PHYS, 258(2-3), 2000, pp. 415-425
Collapse of stiff conjugated polymers with chemical defects into ordered, cylindrical conformations
Authors: Hu, DH Yu, J Wong, K Bagchi, B Rossky, PJ Barbara, PF
Citation: Dh. Hu et al., Collapse of stiff conjugated polymers with chemical defects into ordered, cylindrical conformations, NATURE, 405(6790), 2000, pp. 1030-1033
Non-linear response and hydrogen bond dynamics for electron solvation in methanol
Authors: Turi, L Minary, P Rossky, PJ
Citation: L. Turi et al., Non-linear response and hydrogen bond dynamics for electron solvation in methanol, CHEM P LETT, 316(5-6), 2000, pp. 465-470
Evaluation of functional group contributions to excess volumetric properties of solvated molecules
Authors: Lockwood, DM Rossky, PJ
Citation: Dm. Lockwood et Pj. Rossky, Evaluation of functional group contributions to excess volumetric properties of solvated molecules, J PHYS CH B, 103(11), 1999, pp. 1982-1990
Computer simulation of the excited state dynamics of betaine-30 in acetonitrile
Authors: Lobaugh, J Rossky, PJ
Citation: J. Lobaugh et Pj. Rossky, Computer simulation of the excited state dynamics of betaine-30 in acetonitrile, J PHYS CH A, 103(47), 1999, pp. 9432-9447
The role of specific solvent modes in the non-radiative relaxation of an excess electron in methanol
Authors: Mosyak, AA Prezhdo, OV Rossky, PJ
Citation: Aa. Mosyak et al., The role of specific solvent modes in the non-radiative relaxation of an excess electron in methanol, J MOL STRUC, 486, 1999, pp. 545-554
Nonadiabatic molecular dynamics simulation of photoexcitation experiments for the solvated electron in methanol
Authors: Minary, P Turi, L Rossky, PJ
Citation: P. Minary et al., Nonadiabatic molecular dynamics simulation of photoexcitation experiments for the solvated electron in methanol, J CHEM PHYS, 110(22), 1999, pp. 10953-10962
Risultati: 1-25 | 26-28