VBEFP/PCM: a QM/MM/PCM approach for valence-bond method and its application for the vertical excitations of formaldehyde and acetone in aqueous solution-Reference-Cited by-同舟云学术

VBEFP/PCM: a QM/MM/PCM approach for valence-bond method and its application for the vertical excitations of formaldehyde and acetone in aqueous solution

Published:2014-09-02 Issue:10 Volume:57 Page:1409-1417
ISSN:1674-7291
Container-title:Science China Chemistry
language:en
Short-container-title:Sci. China Chem.

Author:

Huang Jing,Ying FuMing,Su PeiFeng,Wu Wei

Publisher

Springer Science and Business Media LLC

Subject

General Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s11426-014-5192-x.pdf

Reference50 articles.

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3. Song L, Wu W, Zhang Q, Shaik S. VBPCM: a valence bond method that incorporates a polarizable continuum model. J Phys Chem A, 2004, 108: 6017–6024

4. Su P, Wu W, Kelly CP, Cramer CJ, Truhlar DG. VBSM: a solvation model based on valence bond theory. J Phys Chem A, 2008, 112: 12761–12768

5. Tomasi J, Mennucci B, Cammi R. Quantum mechanical continuum solvation models. Chem Rev, 2005, 105: 2999–3094

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