Molecular orbital estimation of reduced partition function ratios of lithium ions in ion exchanger phase of aqueous ion exchange systems

Nukleonika

Volumn 47, Issue SUPPL.1, 2002, Pages

  Yanase, Satoshi ^a   Oi, Takao ^b  

^a ASAHI KASEI CORPORATION   (Japan)

^b SOPHIA UNIVERSITY   (Japan)

Author keywords

Ion exchange; Lithium; Lithium isotopes; Molecular orbital calculations; ONIOM calculations; Reduced partition function ratio

Indexed keywords

EID: 0002038790     PISSN: 00295922     EISSN: 15085791     Source Type: Journal    
DOI: None     Document Type: Conference Paper

References (6)

1. Bigeleisen J, Mayer MG (1947) Calculation of equilibrium constants for isotopic exchange reactions. J Chem Phys 15:261-267
2. Huheey JE (1983) Inorganic chemistry, 3rd ed. Happer & Row, London
3. -. J Chem Phys 105:1959-1967
4. Oi T, Kawada K, Hosoe M, Kakihana H (1991) Fractionation of lithium isotopes in cation-exchange chromatography. Sep Sci Technol 26:1353-1375 (and references cited therein)
5. 2 oxidative addition. J Phys Chem 100:19357-19363
6. Yanase S, Oi T (2001) Ab initio molecular orbital calculations of reduced partition function ratios of hydrated lithium ions in ion exchange systems. Z Naturforsch 56a:297-306