Calculations of Reduced Partition Function Ratios of Hydrated Monoborate Anion by the ab initio MoleculaSr Orbital Theory

Journal of Nuclear Science and Technology

Volumn 38, Issue 6, 2001, Pages 429-432

  Yanase, Satoshi ^b  

^a SOPHIA UNIVERSITY   (Japan)

^b ASAHI CHEMICAL INDUSTRY CO   (Japan)

Author keywords

Borate anion; Boron; Boron isotopes; HF 6 31G(d); Hydration; Isotope effects; Molecular orbital theory; Reduced partition function ratio

Indexed keywords

BORON; COMPUTATIONAL GEOMETRY; CRYSTAL ORIENTATION; HYDRATION; HYDROGEN BONDS; MOLECULAR PHYSICS; NEGATIVE IONS; NUCLEAR PHYSICS; OPTIMIZATION; POTENTIAL ENERGY;

REDUCED PARTITION FUNCTION RATIOS (RPFR);

RADIOISOTOPES;

EID: 0035358234     PISSN: 00223131     EISSN: None     Source Type: Journal    
DOI: 10.1080/18811248.2001.9715049     Document Type: Article

References (6)

1. J. Bigeleisen, M. G. Mayer, J. Chem. Phys., 15, 261 (1947).
2. H. Kakihana, et al, Bull. Chem. Soc. Jpn., 50, 158 (1977).
3. T. Oi, J. Nucl. Sci. Technol., 37, 166 (2000).
4. T. Oi, Z. Naturforsch., 55a, 623 (2000).
5. N. Ingri, Sven. Kem. Tidskift, 75, 199 (1963).
6. J. B. Foresman, A. Frisch, Exploring Chemistry with Electronic Structure Methods, (2nd Ed.), Gaussian, Pittsburgh, (1996).