Ab initio calculations of thermochemical properties of methanol clusters

Journal of Physical Chemistry A

Volumn 117, Issue 7, 2013, Pages 1569-1582

  Umer, Muhammad ^a   Leonhard, Kai ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ENTHALPY; ENTROPY; FREE ENERGY; GIBBS FREE ENERGY; HYDROGEN BONDS; METHANOL; QUANTUM CHEMISTRY; QUANTUM THEORY; RIGID ROTORS;

AB INITIO CALCULATIONS; BINDING ENTHALPIES; CLUSTER DISTRIBUTIONS; COOPERATIVITY EFFECTS; ENERGY CALCULATION; HARMONIC OSCILLATORS; POST-HARTREE-FOCK METHODS; THERMOCHEMICAL PROPERTIES;

CALCULATIONS;

EID: 84874135585     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp308908j     Document Type: Article

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