A new complete basis set model (CBS-QB3) study on the possible intermediates in chemiluminescence

Journal of Chemical Physics

Volumn 113, Issue 18, 2000, Pages 7731-7734

  Zhang, Yong ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMILUMINESCENCE; CORRELATION METHODS; ELECTRONIC STRUCTURE; ESTERS; HYDROGEN PEROXIDE; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; REACTION KINETICS; SET THEORY;

COMPLETE BASIS SET (CBS) THEORY; DIOXETANEDIONE; MOLLER-PLESSET CORRELATION THEORY;

KETONES;

EID: 0034321269     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (4)

1. J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989).
2. L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
3. L. A. Curtiss, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 98, 1293 (1993).
4. L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov, and J. A. Pople, J. Chem. Phys. 109, 7764 (1998).