화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Self-consistent reaction field calculations of nonequilibrium solvent effects on proton transfer processes through low-barrier hydrogen bonds
Ruiz-Lopez MF, Oliva A, Tunon I, Bertran J
Journal of Physical Chemistry A, 102(52), 10728, 1998
2 Molecular Mechanism of HCl Acid Ionization in Water - Ab-Initio Potential-Energy Surfaces and Monte-Carlo Simulations
Ando K, Hynes JT
Journal of Physical Chemistry B, 101(49), 10464, 1997
3 Molecular-Dynamics Simulation Study of Polarizable Solute Solvation in Water .1. Equilibrium Solvent Structure and Solute Rotational-Dynamics
Bursulaya BD, Zichi DA, Kim HJ
Journal of Physical Chemistry, 100(4), 1392, 1996
4 Picosecond Kinetic-Study of the Dynamics for Photoinduced Homolysis and Heterolysis in Diphenylmethyl Chloride
Lipson M, Deniz AA, Peters KS
Journal of Physical Chemistry, 100(9), 3580, 1996
5 Vb Resonance Theory in Solution .1. Multistate Formulation
Bianco R, Hynes JT
Journal of Chemical Physics, 102(20), 7864, 1995
6 Vb Resonance Theory in Solution .2. I-2(-)Reversible-Arrow-I+i- in Acetonitrile
Bianco R, Hynes JT
Journal of Chemical Physics, 102(20), 7885, 1995
7 Reaction-Coordinate-Dependent Friction in Classical Activated Barrier Crossing Dynamics - When It Matters and When It Doesnt
Haynes GR, Voth GA
Journal of Chemical Physics, 103(23), 10176, 1995
8 Reference Interaction Site Model Self-Consistent-Field Study for Solvation Effect on Carbonyl-Compounds in Aqueous-Solution
Tenno S, Hirata F, Kato S
Journal of Chemical Physics, 100(10), 7443, 1994
9 Valence-Bond Charge-Transfer Solvation Model for Nonlinear-Optical Properties of Organic-Molecules in Polar-Solvents
Chen GH, Lu DQ, Goddard WA
Journal of Chemical Physics, 101(7), 5860, 1994
10 Solvent Barriers in Unimolecular Ionizations .1. Reaction-Path Analysis for Alkyl Iodides
Mathis JR, Hynes JT
Journal of Physical Chemistry, 98(21), 5445, 1994