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Volumn , Issue , 2004, Pages 1122-1127

Validation of density functional methods for computing structures and energies of mercury(iv) complexes

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE; FLUORINE; HYDROGEN; MERCURY DERIVATIVE; METAL COMPLEX;

EID: 1842611456     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b315019d     Document Type: Article
Times cited : (50)

References (38)
  • 14
    • 85034797389 scopus 로고    scopus 로고
    • is a package of ab-initio programs written by H. J. Werner, and P. J. Knowles, with contributions from R. D. Amos, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Leininger, R. Lindh, A. W. Lloyd, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, K. Peterson, R. Pitzer, P. Pulay, G. Rauhut, M. Schuetz, H. Stoll, A. J. Stone, and T. Thorsteinsson
    • MOLPRO 2001.1 is a package of ab-initio programs written by H. J. Werner, and P. J. Knowles, with contributions from R. D. Amos, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Leininger, R. Lindh, A. W. Lloyd, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, K. Peterson, R. Pitzer, P. Pulay, G. Rauhut, M. Schuetz, H. Stoll, A. J. Stone, and T. Thorsteinsson
    • MOLPRO 2001.1
  • 29
    • 0000424783 scopus 로고
    • For a discussion of interrelations between repulsion of semi-core shells and ligand orbitals with nondynamical correlation in transition metal complexes see, e.g
    • For a discussion of interrelations between repulsion of semi-core shells and ligand orbitals with nondynamical correlation in transition metal complexes see, e.g.: M. A. Bujise, E. J. Baerends J. Chem. Phys., 1990, 93, 4129.
    • (1990) J. Chem. Phys. , vol.93 , pp. 4129
    • Bujise, M.A.1    Baerends, E.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.