Density-fragment interaction approach for quantum-mechanical/molecular-mechanical calculations with application to the excited states of a Mg2+-sensitive dye-Reference-Cited by-同舟云学术

Density-fragment interaction approach for quantum-mechanical/molecular-mechanical calculations with application to the excited states of a Mg2+-sensitive dye

Published:2008-08-07 Issue:5 Volume:129 Page:054102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Fujimoto Kazuhiro,Yang Weitao

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2958257

Reference65 articles.

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4. Extension of MNDO to d Orbitals: Parameters and Results for the Second-Row Elements and for the Zinc Group

5. RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

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