The Intramolecular Hydrogen-Bond in Malonaldehyde as Seen by Infrared Spectroscopy. A Four-Dimensional Model Study

Zeitschrift fur Physikalische Chemie

Volumn 217, Issue 12, 2003, Pages 1507-1524

  Doslic N ^a   Kuhn O ^b  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Anharmonic frequency shift; Hot transitions; Hydrogen bonds; Infrared spectroscopy

Indexed keywords

DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; INFRARED SPECTROSCOPY; ITERATIVE METHODS; MOLECULAR PHYSICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

ANHARMONIC FREQUENCIES; ANHARMONIC POTENTIAL ENERGY; BENDING VIBRATIONS; DIPOLE MOMENT SURFACES; HOT TRANSITIONS; INTRA-MOLECULAR HYDROGEN BONDS; ITERATIVE LANCZOS METHOD; THREE-DIMENSIONAL MODEL;

HYDROGEN BONDS;

MALONALDEHYDE;

ARTICLE; ATOMIC PARTICLE; ENERGY; HYDROGEN BOND; INFRARED SPECTROSCOPY; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; VIBRATION;

EID: 2542423340     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.217.12.1507.20477     Document Type: Article

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