NBO-based CI/MP through-space/bond interaction analysis and its application to stereoelectronic effects in SN2 reactions
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference19 articles.
1. ; ; ; ; ; ; NBO 5.0. Theoretical Chemistry Institute, University of Wisconsin: Madison, WI, 2001.
2. Ab Initio Study and NBO Interpretation of the Anomeric Effect in CH2(XH2)2 (X = N, P, As) Compounds
3. Conformational Stabilization of 1,3-Benzodioxole: Anomeric Effect by Natural Bond Orbital Analysis
4. Hyperconjugation not steric repulsion leads to the staggered structure of ethane
5. Molecular structure and conformational preferences of trimethylphosphite, P(OCH3)3, as a free molecule and as a ligand in d-block metal complexesDedicated to Professor L. V. Vilkov, Moscow State University, on the occasion of his 70th birthday.
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