Electron donation in the water-water hydrogen bond

Chemistry - A European Journal

Volumn 15, Issue 4, 2009, Pages 851-855

  Khaliullin, Rustam Z ^a   Bell, Alexis T ^b   Head Gordon, Martin ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b University of California   (United States)

Author keywords

Charge transfer; Density functional calculations; Hydrogen bonds; Molecular orbitals; Water chemistry

Indexed keywords

ANEMOMETERS; BINDING SITES; CHARGE TRANSFER; CHEMICAL BONDS; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ELECTRIC INSTRUMENT TRANSFORMERS; HYDROGEN; ION EXCHANGE; MASS TRANSFER; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES; NONMETALS; POLARIZATION; QUANTUM CHEMISTRY; WATER ANALYSIS;

DECOMPOSITION ANALYSIS (DA); DENSITY FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL (DF); ELECTRON DONATIONS; ENERGY DECOMPOSITION; HYDROGEN BONDINGS; POLARIZATION INTERACTIONS; WATER CHEMISTRY; WATER DIMERS; WATER MOLECULES;

HYDROGEN BONDS;

WATER;

ARTICLE; CHEMISTRY; DIMERIZATION; ELECTRON; HYDROGEN BOND; THERMODYNAMICS;

DIMERIZATION; ELECTRONS; HYDROGEN BONDING; THERMODYNAMICS; WATER;

EID: 58449090034     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200802107     Document Type: Article

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