Ab initio Hartree-Fock and density functional studies on the structures and vibrations of an infinite hydrogen fluoride polymer

Journal of Physical Chemistry A

Volumn 102, Issue 43, 1998, Pages 8426-8436

  Hirata, So ^a   Iwata, Suehiro ^a  

^a GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CALCULATIONS; CRYSTALS; HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; MONOMERS; OLIGOMERS; PROBABILITY DENSITY FUNCTION;

CRYSTAL ORBITAL THEORY; HARTREE-FOCK APPROXIMATION; HYDROGEN FLUORIDE POLYMER;

FLUORINE CONTAINING POLYMERS;

EID: 0032181968     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp982383h     Document Type: Article

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