Valence bond theory for chemical dynamics

Valence bond theory for chemical dynamics

Item
http://www.wikidata.org/entity/Q57402151
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-DichloroethaneBiomolecular simulation and modelling: status, progress and prospects.Implementation of umbrella integration within the framework of the empirical valence bond approach.Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization.Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property.Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases.A cumulant functional for static and dynamic correlation.Left-right correlation in coupled F-center defects.A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effectsUnderstanding the substituent effect on the acidity of alcohols andpara-substituted phenols
P2860

Valence bond theory for chemical dynamics

Item
http://www.wikidata.org/entity/Q57402151
description
article
@en
im Januar 2006 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у 2006
@uk
name
Valence bond theory for chemical dynamics
@en
Valence bond theory for chemical dynamics
@nl
type
label
Valence bond theory for chemical dynamics
@en
Valence bond theory for chemical dynamics
@nl
prefLabel
Valence bond theory for chemical dynamics
@en
Valence bond theory for chemical dynamics
@nl
P1433
P1476
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P921
P356
P1433
P1476
Valence bond theory for chemical dynamics
@en
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P921