Energy analysis of weak electron-donor–acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms-Reference-Cited by-同舟云学术

Energy analysis of weak electron-donor–acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms

Published:2012 Issue:21 Volume:14 Page:7787
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Iwata Suehiro

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2012/CP/C2CP40217C

Reference37 articles.

1. On the use of local basis sets for localized molecular orbitals

2. Modification of the Roothaan equations to exclude BSSE from molecular interaction calculations

3. Extension of the SCF-MI Method to the Case of K Fragments one of which is an Open-Shell System.

4. An MO−VB Approach for the Determination of Intermolecular Forces. Theory and Calculations on the He2, He−CH4, and He−H2O Systems

5. An orthogonal approach to determine extremely localised molecular orbitals

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