Related references
Note: Only part of the references are listed.Conformational Dependence of σ-Electron Delocalization in Linear Chains: Permethylated Oligosilanes
Annika Bande et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
Alessandro Cembran et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Block-localized wavefunction (BLW) method at the density functional theory (DFT) level
Yirong Mo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Atoms in molecules interpretation of the anomeric effect in the O-C-O unit
Antonio Vila et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Theoretical analysis of the rotational barrier of ethane
Yirong Mo et al.
ACCOUNTS OF CHEMICAL RESEARCH (2007)
Lewis-based valence bond scheme:: Application to the allyl cation
M Linares et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
XMVB*:: A program for ab initio nonorthogonal valence bond computations
LC Song et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Direct estimate of the conjugative and hyperconjugative stabilization in diynes, dienes, and related compounds
D Cappel et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
The magnitude of hyperconjugation in ethane: A perspective from ab initio valence bond theory
YR Mo et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
Rebuttal to the Bickelbaupt-Baerends case for steric repulsion causing the staggered conformation of ethane
F Weinhold
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
The case for steric repulsion causing the staggered conformation of ethane
FM Bickelhaupt et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
Hyperconjugation not steric repulsion leads to the staggered structure of ethane
V Pophristic et al.
NATURE (2001)
Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach
YR Mo et al.
JOURNAL OF CHEMICAL PHYSICS (2000)