Hydrogen bonds and O⋯O interactions in proton-ordered ices. DFT computations with periodic boundary conditions

Chemical Physics Letters

Volumn 500, Issue 4-6, 2010, Pages 272-276

  Vener, M V ^a   Egorova, A N ^a   Tsirelson, V G ^a  

^a MENDELEEV UNIVERSITY OF CHEMICAL TECHNOLOGY OF RUSSIA   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BOND PATHS; DFT COMPUTATIONS; ELECTRON DENSITIES; FREQUENCY DOWNSHIFT; IR INTENSITIES; LARGE SHIFTS; OH STRETCHING VIBRATIONS; PERIODIC BOUNDARY CONDITIONS;

BOUNDARY CONDITIONS; PROTONS; STRETCHING;

HYDROGEN BONDS;

EID: 78249253621     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.10.024     Document Type: Article

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