Preferential formation of the different hydrogen bonds and their effects in tetrahydrofuran and tetrahydropyran microhydrated complexes

Journal of Physical Chemistry A

Volumn 116, Issue 16, 2012, Pages 4199-4210

  Vallejos, Margarita M ^a   Peruchena, Nélida M ^a  

^a UNIVERSIDAD NACIONAL DEL NORDESTE   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ATOMS IN MOLECULES THEORY; BIFUNCTIONAL; BOND CRITICAL POINTS; DENSITY FUNCTIONALS; ELECTRON POPULATION; GEOMETRY OPTIMIZATION; GROUP PROPERTIES; H-BONDS; HYDROPHILIC AND HYDROPHOBIC; HYDROPHOBIC HYDRATION; INITIAL GUESS; INTERACTION ENERGIES; LARGE BIOMOLECULES; LINEAR CORRELATION; MOLECULAR GROUPS; SOLUTE-SOLVENT INTERACTION; TETRA-HYDROFURAN; TETRAHYDROPYRAN; WATER OXYGEN ATOMS; WATER-WATER;

ATOMS; HYDRATION; HYDROGEN BONDS; HYDROPHOBICITY; STABILIZATION;

COMPLEXATION;

FURAN DERIVATIVE; PYRAN DERIVATIVE; TETRAHYDROFURAN; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY;

FURANS; HYDROGEN BONDING; PYRANS; QUANTUM THEORY; WATER;

EID: 84860299276     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp301498n     Document Type: Article

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