Molecular modeling methods for supramolecular complexes: A hierarchical approach-Reference-Cited by-同舟云学术

Molecular modeling methods for supramolecular complexes: A hierarchical approach

Published:2010-06 Issue:5-6 Volume:5 Page:290-298
ISSN:1995-0780
Container-title:Nanotechnologies in Russia
language:en
Short-container-title:Nanotechnol Russia

Author:

Grigor’ev F. V.,Romanov A. N.,Laikov D. N.,Zhabin S. N.,Golovacheva A. Yu.,Oferkin I. V.,Sulimov A. V.,Bazilevskii M. V.,Bagatur’yants A. A.,Sulimov V. B.,Alfimov M. V.

Publisher

Pleiades Publishing Ltd

Subject

General Engineering,Condensed Matter Physics,General Materials Science

Link

http://link.springer.com/content/pdf/10.1134/S1995078010050022.pdf

Reference30 articles.

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3. D. N. Laikov and Yu. A. Ustynyuk, “PRIRODA-04: AQuantum-Chemical Program Suite: New Possibilities in the Study of Molecular Systems with the Application of Parallel Computing,” Izv. Akad. Nauk, Ser. Khim., No. 3, 804 (2005) [Russ. Chem. Bull. 54 (3), 820 (2005)].

4. J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized Gradient Approximation Made Simple,” Phys. Rev. Lett. 77, 3865 (1996).

5. C. Adamo and V. Barone, “Physically Motivated Density Functionals with Improved Performances: The Modified Perdew-Burke-Ernzerhof Model,” J. Chem. Phys. 116, 5933 (2002).

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