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Volumn 461-462, Issue , 1999, Pages 297-310

Ab initio mechanistic investigation of samarium(III)-catalyzed olefin hydroboration reaction

Author keywords

Ab initio calculations; Energy profile; Hydroboration; Samarium(III) complex

Indexed keywords

ALKENE; SAMARIUM;

EID: 0033515401     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00464-3     Document Type: Article
Times cited : (13)

References (48)
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    • UNIPROP: Program developed by Gadre and co-workers at University of Pune, India. See also
    • UNIPROP: Program developed by Gadre and co-workers at University of Pune, India. See also R.N. Shirsat, S.V. Bapat, S.R. Gadre, Chem. Phys. Lett. 200 (1992) 373.
    • (1992) Chem. Phys. Lett. , vol.200 , pp. 373
    • Shirsat, R.N.1    Bapat, S.V.2    Gadre, S.R.3
  • 28
    • 4143146214 scopus 로고
    • and references cited therein
    • N. Koga, K. Morokuma, Chem. Rev. 91 (1991) 823 and references cited therein.
    • (1991) Chem. Rev. , vol.91 , pp. 823
    • Koga, N.1    Morokuma, K.2
  • 36
    • 0009635720 scopus 로고    scopus 로고
    • unpublished results
    • N. Koga, unpublished results.
    • Koga, N.1
  • 37
    • 0004157499 scopus 로고
    • Clarendon, Oxford The critical points of molecular electron density distribution (ED) can be characterized from its rank and signature (excess of positive eigenvalues over negative ones). Thus, maxima are denoted as (3,-3), minima are denoted as (3,+3) and two types of saddles are denoted as (3,-1) and (3,+1). The ED is maximum at the nuclear sites and a (3,-1) saddle is found between every bonded pair of atoms (called bond critical point). The presence of ring or cage in the system can be identified from occurrence of (3,+1) saddle and minimum, respectively, in the ED distribution
    • R.F.W. Bader, Atoms in Molecules: A Quantum Theory, Clarendon, Oxford, 1990. The critical points of molecular electron density distribution (ED) can be characterized from its rank and signature (excess of positive eigenvalues over negative ones). Thus, maxima are denoted as (3,-3), minima are denoted as (3,+3) and two types of saddles are denoted as (3,-1) and (3,+1). The ED is maximum at the nuclear sites and a (3,-1) saddle is found between every bonded pair of atoms (called bond critical point). The presence of ring or cage in the system can be identified from occurrence of (3,+1) saddle and minimum, respectively, in the ED distribution.
    • (1990) Atoms in Molecules: A Quantum Theory
    • Bader, R.F.W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.