G3-B3 calculation of the molecular structure and descriptors of isomeric thiadiazoles-Reference-Cited by-同舟云学术

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G3-B3 calculation of the molecular structure and descriptors of isomeric thiadiazoles

Published:2005-07 Issue:1-3 Volume:725 Page:27-30
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Glossman-Mitnik Daniel

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference23 articles.

1. Quantum-chemical descriptors in QSAR;Karelson,2004

2. Density Functional Theory of Atoms and Molecules;Parr,1989

3. Chemical Hardness: Applications from Molecules to Solids;Pearson,1997

4. Reactivity descriptors;Chattaraj,2004

5. Molecular descriptors;Downs,2004

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5. Theoretical studies of the solvent effect on conformational equilibria and atomic charges for isolated and hydrogen-bonded dimethoxy thiadiazoles;Computational and Theoretical Chemistry;2011-06

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