Calculations of reduced partition function ratios of monomeric and dimeric boric acids and borates by the ab initio molecular orbital theory

Journal of Nuclear Science and Technology

Volumn 37, Issue 2, 2000, Pages 166-172

  Oi, Takao ^a  

^a SOPHIA UNIVERSITY   (Japan)

Author keywords

6 31G(d) basis set; Additivity; Borates; Boric acid; Boron; Comparative evaluations; Hartree Fock self consistent field theory; Isotope effects; Molecular orbital theory; Reduced partition function ratio; Vibrational frequencies

Indexed keywords

BORON COMPOUNDS; DIMERS; ISOTOPES; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; MONOMERS;

BORATES; BORIC ACIDS; HARTREE-FOCK SELF CONSISTENT FIELD THEORY; MOLECULAR ORBITAL THEORY; REDUCED PARTITION FUNCTION RATIOS;

MOLECULAR DYNAMICS;

EID: 0342322945     PISSN: 00223131     EISSN: None     Source Type: Journal    
DOI: 10.1080/18811248.2000.9714880     Document Type: Article

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