Publication - Journal Article Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H₂O)_n, n = 8, 20 and 24

Journal Article

Physical Chemistry Chemical Physics, vol. 18, iss. 29, pp. 19746-19756, 2016

Authors

Suehiro Iwata, Dai Akase, Misako Aida, Sotiris S. Xantheas

Abstract

Comparison of the sum of the characteristic factors for some of the typical hydrogen donor and acceptor pairs with the CT term/kJ mol⁻¹ (the upper value) and the O⋯O distance/in cubic (H₂O)₈.

Language English

Publication - Journal Article Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24

DOI

Publication - Journal Article Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H₂O)_n, n = 8, 20 and 24