Quantum Cluster Equilibrium theory of liquids: Isotopically substituted QCE/3-21G model water

Zeitschrift fur Physikalische Chemie

Volumn 216, Issue 5, 2002, Pages 659-674

  Ludwig, R ^a   Weinhold, F ^a  

^a TU DORTMUND UNIVERSITY   (Germany)

Author keywords

Ab Initio Calculations; Hydrogen Bonds; Isotopic Substitution; Model Water; Molecular Clusters

Indexed keywords

CALCULATIONS; HYDROGEN BONDS;

AB INITIO CALCULATIONS; ISOTOPIC SUBSTITUTION; MACROSCOPIC PROPERTIES; MICROSTRUCTURAL COMPOSITION; MOLECULAR CLUSTERS; QUALITATIVE ASPECTS; QUANTUM CLUSTER EQUILIBRIUM THEORY; THERMODYNAMICAL PROPERTIES;

ISOTOPES;

DEUTERIUM OXIDE; WATER;

ARTICLE; CHEMICAL STRUCTURE; ENERGY; HIGH TEMPERATURE; LIQUID; QUANTUM THEORY; THERMODYNAMICS; X RAY DIFFRACTION;

EID: 0036345908     PISSN: 00443336     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)