화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Solvent effects on structure and reaction mechanism : A theoretical study of [2+2] polar cycloaddition between ketene and imine
Truong TN
Journal of Physical Chemistry B, 102(40), 7877, 1998
2 A General Methodology for Quantum Modeling of Free-Energy Profile of Reactions in Solution - An Application to the Menshutkin Nh3+ch3Cl Reaction in Water
Truong TN, Truong TT, Stefanovich EV
Journal of Chemical Physics, 107(6), 1881, 1997
3 Study of the Ag+ Hydration by Means of a Semicontinuum Quantum-Chemical Solvation Model
Martinez JM, Pappalardo RR, Marcos ES
Journal of Physical Chemistry A, 101(24), 4444, 1997
4 Self-Consistent-Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free-Energy in the Polarizable Continuum Model
Amovilli C, Mennucci B
Journal of Physical Chemistry B, 101(6), 1051, 1997
5 Development and Validation of Reliable Quantum-Mechanical Approaches for the Study of Free-Radicals in Solution
Rega N, Cossi M, Barone V
Journal of Chemical Physics, 105(24), 11060, 1996
6 Molecular-Interactions in Solution - An Overview of Methods Based on Continuous Distributions of the Solvent
Tomasi J, Persico M
Chemical Reviews, 94(7), 2027, 1994