Modeling and spectral simulation of matrix-isolated molecules by density functional calculations: A case study on formic acid dimer

Journal of Chemical Physics

Volumn 133, Issue 21, 2010, Pages

  Ito, Fumiyuki ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-FUNCTIONAL CALCULATIONS; FORMIC ACID DIMERS; HOST ATOMS; ISOLATED MOLECULES; MATRIX; SIMULATED SPECTRA; SOLID ARGON; SOLVATION SHELL; SPECTRAL SIMULATIONS; STRUCTURAL STABILITIES; SUPER MOLECULES;

ARGON; DENSITY FUNCTIONAL THEORY; FORMIC ACID; STABILITY;

DIMERS;

ARGON; FORMIC ACID; FORMIC ACID DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; MACROMOLECULE; QUANTUM THEORY; SPECTROSCOPY;

ARGON; DIMERIZATION; FORMIC ACIDS; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; SPECTRUM ANALYSIS;

EID: 79251527228     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3507869     Document Type: Article

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