Efficient evaluation of poly-electron populations in natural bond orbital analysis

Chemical Physics Letters - Tập 711 - Trang 23-26 - 2018
Eric D. Glendening1, Frank Weinhold2
1Department of Chemistry and Physics, Indiana State University, Terre Haute, IN 47809 USA
2Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin-Madison, WI 53706 USA

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