An alternative to the “Star Path” enhancement of the ADMA linear scaling method for protein modeling-Reference-Cited by-同舟云学术

An alternative to the “Star Path” enhancement of the ADMA linear scaling method for protein modeling

Published:2017-05-10 Issue:20 Volume:38 Page:1774-1779
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Mezey Paul G.¹²,Antal Zoltan³^ORCID

Affiliation:

1. Faculty of Chemistry and Chemical Engineering; Universitatea Babes-Bolyai; Str. Arany Janos nr 11 Cluj-Napoca Romania 400028

2. Canada Research Chair in Scientific Modeling and Simulation; Department of Chemistry and Department of Physics and Physical Oceanography, Memorial University of Newfoundland; 283 Prince Philip Drive, St. John's, Newfoundland and Labrador A1B 3X7 Canada

3. Theoretical and Medical chemistry Research Division; Fundatia Provitam; Str. Caisului 16, Cluj-Napoca, RO, Cluj-Napoca Cluj Romania 400487

Funder

Romanian National Authority for Scientific Research and Innovation, CNCS - UEFISCDI

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.24817/fullpdf

Reference57 articles.

1. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

2. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

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