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Results: 1-23 |
Results: 23
Is the H2OCl+ ion a viable intermediate for the hydrolysis of ClONO2 on ice surfaces?
Authors: Bianco, R Thompson, WH Morita, A Hynes, JT
Citation: R. Bianco et al., Is the H2OCl+ ion a viable intermediate for the hydrolysis of ClONO2 on ice surfaces?, J PHYS CH A, 105(13), 2001, pp. 3132-3139
Model study of the acid-base proton-transfer reaction of the ClP center dot center dot center dot OH2 pair in low-polarity solvents
Authors: Thompson, WH Hynes, JT
Citation: Wh. Thompson et Jt. Hynes, Model study of the acid-base proton-transfer reaction of the ClP center dot center dot center dot OH2 pair in low-polarity solvents, J PHYS CH A, 105(12), 2001, pp. 2582-2590
Coulomb force and intramolecular energy flow effects for vibrational energy transfer for small molecules in polar solvents
Authors: Hynes, JT Rey, R
Citation: Jt. Hynes et R. Rey, Coulomb force and intramolecular energy flow effects for vibrational energy transfer for small molecules in polar solvents, PRAC SPECTR, 26, 2001, pp. 593-623
Free energetics of NaI contact and solvent-separated ion pairs in water clusters
Authors: Peslherbe, GH Ladanyi, BM Hynes, JT
Citation: Gh. Peslherbe et al., Free energetics of NaI contact and solvent-separated ion pairs in water clusters, J PHYS CH A, 104(19), 2000, pp. 4533-4548
Excited-state dynamics in polar solvents of push-pull polyenes designed for nonlinear optics
Authors: Plaza, P Laage, D Martin, MM Alain, V Blanchard-Desce, M Thompson, WH Hynes, JT
Citation: P. Plaza et al., Excited-state dynamics in polar solvents of push-pull polyenes designed for nonlinear optics, J PHYS CH A, 104(11), 2000, pp. 2396-2401
Untitled
Authors: De Schryver, FC Hynes, JT
Citation: Fc. De Schryver et Jt. Hynes, Untitled, CHEM VAPOR, 6(2), 2000, pp. NIL_2-NIL_2
Structure of NaI ion pairs in water clusters
Authors: Peslherbe, GH Ladanyi, BM Hynes, JT
Citation: Gh. Peslherbe et al., Structure of NaI ion pairs in water clusters, CHEM PHYS, 258(2-3), 2000, pp. 201-224
A theoretical analysis of the sum frequency generation spectrum of the water surface
Authors: Morita, A Hynes, JT
Citation: A. Morita et Jt. Hynes, A theoretical analysis of the sum frequency generation spectrum of the water surface, CHEM PHYS, 258(2-3), 2000, pp. 371-390
Primary ultrafast events preceding the photoinduced proton transfer from pyranine to water
Authors: Tran-Thi, TH Gustavsson, T Prayer, C Pommeret, S Hynes, JT
Citation: Th. Tran-thi et al., Primary ultrafast events preceding the photoinduced proton transfer from pyranine to water, CHEM P LETT, 329(5-6), 2000, pp. 421-430
A theoretical investigation of excited-state acidity of phenol and cyanophenols
Authors: Granucci, G Hynes, JT Millie, P Tran-Thi, TH
Citation: G. Granucci et al., A theoretical investigation of excited-state acidity of phenol and cyanophenols, J AM CHEM S, 122(49), 2000, pp. 12243-12253
Frequency shifts in the hydrogen-bonded OH stretch in halide-water clusters. The importance of charge transfer
Authors: Thompson, WH Hynes, JT
Citation: Wh. Thompson et Jt. Hynes, Frequency shifts in the hydrogen-bonded OH stretch in halide-water clusters. The importance of charge transfer, J AM CHEM S, 122(26), 2000, pp. 6278-6286
Theoretical chemistry for heterogeneous reactions of atmospheric importance. The HCl+ClONO2 reaction on ice.
Authors: Bianco, R Hynes, JT
Citation: R. Bianco et Jt. Hynes, Theoretical chemistry for heterogeneous reactions of atmospheric importance. The HCl+ClONO2 reaction on ice., PROG T CHEM, 5, 2000, pp. 235-245
Molecular mechanism of HF acid ionization in water: An electronic structure - Monte Carlo study
Authors: Ando, K Hynes, JT
Citation: K. Ando et Jt. Hynes, Molecular mechanism of HF acid ionization in water: An electronic structure - Monte Carlo study, J PHYS CH A, 103(49), 1999, pp. 10398-10408
A theoretical study of the reaction of ClONO2 with HCl on ice
Authors: Bianco, R Hynes, JT
Citation: R. Bianco et Jt. Hynes, A theoretical study of the reaction of ClONO2 with HCl on ice, J PHYS CH A, 103(20), 1999, pp. 3797-3801
Two valence bond state model for molecular nonlinear optical properties. Comparison with push-pull polyene solution measurements
Authors: Thompson, WH Blanchard-Desce, M Alain, V Muller, J Fort, A Barzoukas, M Hynes, JT
Citation: Wh. Thompson et al., Two valence bond state model for molecular nonlinear optical properties. Comparison with push-pull polyene solution measurements, J PHYS CH A, 103(19), 1999, pp. 3766-3771
Cluster ion thermodynamic properties: The liquid drop model revisited
Authors: Peslherbe, GH Ladanyi, BM Hynes, JT
Citation: Gh. Peslherbe et al., Cluster ion thermodynamic properties: The liquid drop model revisited, J PHYS CH A, 103(15), 1999, pp. 2561-2571
Acid-base proton transfer and ion pair formation in solution
Authors: Ando, K Hynes, JT
Citation: K. Ando et Jt. Hynes, Acid-base proton transfer and ion pair formation in solution, ADV CH PHYS, 110, 1999, pp. 381-430
Physical chemistry - The protean proton in water
Authors: Hynes, JT
Citation: Jt. Hynes, Physical chemistry - The protean proton in water, NATURE, 397(6720), 1999, pp. 565
Acid ionization of HBr in a small water cluster
Authors: Gertner, BJ Peslherbe, GH Hynes, JT
Citation: Bj. Gertner et al., Acid ionization of HBr in a small water cluster, ISR J CHEM, 39(3-4), 1999, pp. 273-281
Theoretical studies of heterogeneous reaction mechanisms relevant for stratospheric ozone depletion
Authors: Bianco, R Hynes, JT
Citation: R. Bianco et Jt. Hynes, Theoretical studies of heterogeneous reaction mechanisms relevant for stratospheric ozone depletion, INT J QUANT, 75(4-5), 1999, pp. 683-692
Model molecular dynamics simulation of hydrochloric acid ionization at thesurface of stratospheric ice
Authors: Gertner, BJ Hynes, JT
Citation: Bj. Gertner et Jt. Hynes, Model molecular dynamics simulation of hydrochloric acid ionization at thesurface of stratospheric ice, FARADAY DIS, (110), 1998, pp. 301-322
General discussion
Authors: Child, MS Darling, GR Kroes, GJ Truhlar, DG Light, JC McCormack, DA Tozer, DJ Clary, DC Bird, DM Zhang, JZH Holloway, S Taylor, PR Persson, M Jackson, BE Anderson, JB Bowman, JM Thompson, DL Hynes, JT Basilevsky, MV Chandler, D Sprik, M Morokuma, K Bolhuis, PG Al-Halabi, AS Hammer, B Davidson, ER Tully, JC Martinez, TJ Hillier, IH Meier, RJ Schulten, KJ Kuppermann, A
Citation: Ms. Child et al., General discussion, FARADAY DIS, (110), 1998, pp. 347-378
General discussion
Authors: Truhlar, DG Jorgensen, WL Nguyen, MT Anderson, JB Chandler, D Hammes-Schiffer, S Bolhuis, PG Hillier, IH Dellago, C Connor, JNL Basilevsky, MV Tully, JC Bowman, JM Goldfield, EM Katz, G Martinez, TJ Jakubetz, W Schranz, HW Schulten, KJ Sprik, M Schatz, GC Hynes, JT Williams, IH Taylor, PR Verma, CS Lagana, A Morokuma, K Trindle, C Schaefer, HF Burton, NA Blancafort, L
Citation: Dg. Truhlar et al., General discussion, FARADAY DIS, (110), 1998, pp. 477-520
Risultati: 1-23 |