A polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde (1A2)-Reference-Cited by-同舟云学术

A polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde (1A2)

Published:2002-07-15 Issue:3 Volume:117 Page:1242-1255
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Dupuis M.,Aida M.,Kawashima Y.,Hirao K.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1483858

Reference68 articles.

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4. Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials

5. Polarisabilites mol�culaires et effet di�lectrique de milieu � l'�tat liquide. �tude th�orique de la mol�cule d'eau et de ses dim�res

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