Hydrogen bond in FH…FM (M = Li, Na, K) dimers: Nonempirical calculations View Full Text


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Article Info

DATE

2007-07

AUTHORS

R. M. Minyaev, I. V. Getmanskii, A. G. Starikov

ABSTRACT

The CCSD/6-311++G(d,p) method was used to perform calculations of the LiHF2, NaHF2, and KHF2 molecules. Symmetrical H-bonds were for the first time observed in the neutral NaHF2 and KHF2 molecules. AIM calculations showed that H-bonds in LiHF2, NaHF2, and KHF2 were different from usual H-bonds and resembled covalent links.

PAGES

1100-1103

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s0036024407070163

DOI

http://dx.doi.org/10.1134/s0036024407070163

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1047455827


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