Maximal probability domains in linear molecules
نویسندگان
چکیده
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, N2, CO, CS, C2H2, and C4H2.
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عنوان ژورنال:
- Journal of computational chemistry
دوره 26 5 شماره
صفحات -
تاریخ انتشار 2005