DFT study of proton dynamics in the potassium hydrogen maleate crystal: The infrared versus the inelastic neutron scattering spectra

Zeitschrift fur Physikalische Chemie

Volumn 222, Issue 8-9, 2008, Pages 1349-1358

  Vener, Mikhail V ^a   Manaev, Alexey V ^a   Hadži, Dušan ^b   Tsirelson, Vladimir G ^a  

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

^b NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

DFT; Inelastic neutron scattering; Infrared spectroscopy; Potassium hydrogen maleate; Proton dynamics

Indexed keywords

CRYSTALS; DYNAMICS; HYDROGEN; INELASTIC NEUTRON SCATTERING; INFRARED SPECTROSCOPY; POTASSIUM; STRETCHING;

HARMONIC FREQUENCY; INELASTIC NEUTRONS; INTRAMOLECULAR VIBRATION; MALEATE; PERIODIC BOUNDARY CONDITIONS; PROTON DYNAMICS; RELATIVE INTENSITY; STRETCHING VIBRATIONS;

CRYSTAL STRUCTURE;

EID: 57349092420     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2008.5394     Document Type: Article

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