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Volumn 489, Issue 1-3, 2010, Pages 35-38

A theoretical study of the stationary structures of the methane surface with special emphasis on NMR properties

Author keywords

[No Author keywords available]

Indexed keywords

COUPLING CONSTANTS; HYPERSURFACE; RELATIVE ENERGIES; STATIONARY POINTS; THEORETICAL STUDY;

EID: 77949492877     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.02.051     Document Type: Article
Times cited : (7)

References (41)
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    • Gaussian, Inc., Pittsburgh, PA
    • Frisch M.J., et al. Gaussian 03 (2003), Gaussian, Inc., Pittsburgh, PA
    • (2003) Gaussian 03
    • Frisch, M.J.1
  • 32
    • 77949487782 scopus 로고    scopus 로고
    • C. Angeli et al, Dalton, A Molecular Electronic Structural Program, Release 2.0, 2005
    • C. Angeli et al., Dalton, A Molecular Electronic Structural Program, Release 2.0, , 2005.
  • 33
    • 77949491039 scopus 로고    scopus 로고
    • P.L.A. Popelier with a Contribution from R.G.A. Bone, Morphy98, a Topological Analysis Program, (UMIST, Engl, EU), 1999.
    • P.L.A. Popelier with a Contribution from R.G.A. Bone, Morphy98, a Topological Analysis Program, (UMIST, Engl, EU), 1999.
  • 35
    • 0003241578 scopus 로고
    • Atoms in molecules: a quantum theory
    • Halpen J., and Green M.L.H. (Eds), Clarendon Press, Oxford
    • Bader R.F.W. Atoms in molecules: a quantum theory. In: Halpen J., and Green M.L.H. (Eds). The International Series of Monographs of Chemistry (1990), Clarendon Press, Oxford
    • (1990) The International Series of Monographs of Chemistry
    • Bader, R.F.W.1
  • 39
    • 15944398766 scopus 로고    scopus 로고
    • 15N spin-spin coupling constants across hydrogen bonds using ab initio EOM-CCSD calculations
    • Kaupp M., Bühl M., and Malkin V.G. (Eds), Wiley-VCH, Weinheim
    • 15N spin-spin coupling constants across hydrogen bonds using ab initio EOM-CCSD calculations. In: Kaupp M., Bühl M., and Malkin V.G. (Eds). Calculation of NMR and EPR Parameters (2004), Wiley-VCH, Weinheim 353
    • (2004) Calculation of NMR and EPR Parameters , pp. 353
    • Del Bene, J.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.