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Volumn 111, Issue 4, 2007, Pages 841-852

Spin-forbidden ligand binding to the ferrous-heme group: Ab initio and DFT studies

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

EID: 33847050884     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp064091j     Document Type: Article
Times cited : (178)

References (104)
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    • Schrodinger, LLC: Portland, OR
    • Jaguar 6.0; Schrodinger, LLC: Portland, OR, 2005.
    • (2005) Jaguar 6.0
  • 73
    • 84906399484 scopus 로고    scopus 로고
    • MOLPRO; A package of ab inito programs designed by H.-J. Werner and P. J. Knowles with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Harmpel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schutz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, and H.-J. Werner University of Birmingham: Birmingham, UK, 2002.
    • MOLPRO; A package of ab inito programs designed by H.-J. Werner and P. J. Knowles with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Harmpel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schutz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, and H.-J. Werner University of Birmingham: Birmingham, UK, 2002.
  • 90
  • 103
    • 0002424327 scopus 로고
    • (a) Weiss, J. J. Nature 1964, 202, 83.
    • (1964) Nature , vol.202 , pp. 83
    • Weiss, J.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.