Simulated Infrared Spectra of Ho(III) and Gd(III) Chlorides and Carboxylate Complexes Using Effective Core Potentials in GAMESS

Journal of Chemical Information and Computer Sciences

Volumn 41, Issue 6, 2001, Pages 1547-1552

  Esperdy, Kathryne ^a   Shillady, Donald D ^a  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE;

CHELATE RINGS;

ABSORPTION; CHELATION; COMPUTER SIMULATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GADOLINIUM COMPOUNDS; MOLECULAR VIBRATIONS; THERMOGRAVIMETRIC ANALYSIS;

HOLMIUM COMPOUNDS;

EID: 0035526166     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010057k     Document Type: Article

References (26)

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11. The software can be obtained from Pyramid Learning, P.O. Box 2668, Aptos, CA 95001, www.chemsite1.com.
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