Ab Initio molecular orbital calculations of model compound systems for the water molecule sorbed into polymers

Kobunshi Ronbunshu

Volumn 53, Issue 11, 1996, Pages 716-721

  Kusanagi, Hiroshi ^a   Matsuda, Tsunetoshi ^b  

^a Unitika Research Laboratory Inc   (Japan)

^b UNITIKA LTD   (Japan)

Author keywords

Ab Initio MO; Model Compound; Normal Vibration Calculation; Water Sorption Mechanism

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; MOLECULAR VIBRATIONS; MOLECULES; SORPTION; WATER;

AB INITIO MOLECULAR ORBITAL CALCULATIONS; NORMAL VIBRATION CALCULATION; WATER SORPTION MECHANISM;

POLYMERS;

EID: 0030286086     PISSN: 03862186     EISSN: None     Source Type: Journal    
DOI: 10.1295/koron.53.716     Document Type: Article

References (11)

1. Polym. Prepr. Jpn., 38, 3245 (1989).
2. H. Kusanagi and S. Yukawa, Polymer, 35, 5637 (1994).
3. H. Kusanagi, S. Yukawa, and A. Ishimoto, Preprints, IUPAC 32nd International Conference of Macromolecules (Kyoto) (1988), p. 368.
4. K. Nakamoto, M. Margoshes, and R. E. Rundle, J. Am. Chem. Soc., 77, 6480 (1955).
5. G. Herzberg, "Molecular Spectra and Molecular Structure, II. Infrared and Raman Spectra of Polyatomic Molecules", D. Van Nostrand, Amsterdam (1945), p. 282.