Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 26, Issue 5, Pages 455-460Publisher
WILEY
DOI: 10.1002/jcc.20180
Keywords
maximal probability domains; linear molecules; electron localization function (ELF)
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Regions of space are defined to maximize the probability to find a given number of electrons within. Their chemical significance and their relationship to the electron localization function (ELF) are explored by analyzing the results for a few linear molecules: LiH, BH, N-2, CO, CS, C2H2, and C4H2. (c) 2005 Wiley Periodicals, Inc. J Comput Chem 26: 455-460, 2005.
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