Insights into the ultraviolet spectrum of liquid water from model calculations

Journal of Chemical Physics

Volumn 132, Issue 24, 2010, Pages

  Cabral Do Couto, Paulo ^a   Chipman, Daniel M ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BENCHMARK CALCULATIONS; COMPLETE BASIS SET LIMIT; CONDENSED PHASE; DELOCALIZATIONS; DIMER STRUCTURE; ELECTRON DENSITIES; ELECTRONIC STRUCTURE CALCULATIONS; EXCITED ELECTRONS; FREE WATER; HYBRID FUNCTIONALS; HYDROGEN BOND DONORS; HYDROGEN BONDINGS; LIQUID WATER; MODEL CALCULATIONS; MOLECULAR LEVELS; MONOMER STATE; OSCILLATOR STRENGTHS; REFERENCE METHOD; RELATIVE ORIENTATION; SEMI-QUANTITATIVE; TIME-DEPENDENT DENSITY FUNCTIONAL METHODS; ULTRAVIOLET ABSORPTION SPECTRUM; ULTRAVIOLET SPECTRUM; VALENCE EXCITATIONS; WATER CLUSTER; WATER DIMERS; WATER MOLECULE; WAVE-FUNCTION BASED METHODS;

ABSORPTION SPECTROSCOPY; CARRIER CONCENTRATION; CHARGE TRANSFER; ELECTRIC EXCITATION; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; EXCITATION ENERGY; EXCITED STATES; HYDROGEN; HYDROGEN BONDS; ION EXCHANGE; LIGHT ABSORPTION; LIQUIDS; MASS TRANSFER; MOLECULES; MONOMERS; OSCILLATORS (ELECTRONIC); ULTRAVIOLET SPECTROSCOPY; WAVE FUNCTIONS;

WATER ABSORPTION;

WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; QUANTUM THEORY; ULTRAVIOLET SPECTROPHOTOMETRY;

DIMERIZATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; WATER;

EID: 77954182545     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3453248     Document Type: Article

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