Structural studies of the water tetramer

International Journal of Quantum Chemistry

Volumn 108, Issue 10, 2008, Pages 1653-1659

  Pérez, Jhon F ^a   Hadad, C Z ^a   Restrepo, Albeiro ^a  

^a UNIVERSIDAD DE ANTIOQUIA   (Colombia)

Author keywords

Ab initio calculations; Hydrogen bond networks; Modified metropolis test; Stochastic optimization; Water clusters

Indexed keywords

AEROSPACE APPLICATIONS; ANNEALING; CURVE FITTING; GEOMETRY; HYDROGEN; ISOMERS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SHAPE OPTIMIZATION; STRUCTURAL OPTIMIZATION; STRUCTURAL PROPERTIES; SURFACE POTENTIAL; TELEMETERING SYSTEMS;

(PL) PROPERTIES; ACCEPTANCE TESTING; CCSD(T); CONFORMATIONAL SPACES; CYCLIC TETRAMER; CYCLIC TETRAMERS; CYCLIC TRIMERS; ENERGY SURFACES; GLOBAL MINIMUM (GM); HYDROGEN ATOMS; MP2 GEOMETRIES; RANDOM SEARCHES; RANDOM WALK (RW); RELATIVE STABILITIES; STOCHASTIC SEARCH; STRUCTURAL ISOMERS; STRUCTURAL STUDIES; TETRAMER; WATER MOLECULES;

SIMULATED ANNEALING;

EID: 45749146701     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21615     Document Type: Conference Paper

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