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Volumn 12, Issue 1, 2001, Pages 45-58

Conformational Analyses of Glycinal and Alaninal: A Computational Study

Author keywords

Alaninal; Amino aldehydes; Density functional theory; Glycinal; Molecular orbital; Solvation

Indexed keywords


EID: 84962408492     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1009210101883     Document Type: Article
Times cited : (1)

References (39)
  • 2
    • 0037768402 scopus 로고
    • and references cited therein
    • Jurczak, J.; Golebiowski, A. Chem. Rev. 1989, 89, 149 and references cited therein.
    • (1989) Chem. Rev. , vol.89 , pp. 149
    • Jurczak, J.1    Golebiowski, A.2
  • 33
    • 84962367151 scopus 로고
    • Jaguar 4.0, Schrödinger, Inc., Portland, OR
    • Jaguar 4.0, Schrödinger, Inc., Portland, OR, 1991-2000.
    • (1991)
  • 36
    • 84962342198 scopus 로고    scopus 로고
    • note
    • C-X are all less than 0.50.
  • 38
    • 28044441159 scopus 로고    scopus 로고
    • The gas-phase structures were reoptimized using the pseudospectral implementation in Jaguar 4.0 [33]. These optimized structures are slightly different than those obtained from GAUSSIAN 98 [17]. For a discussion of accuracy tests and performance characteristics of the DFT methodology used in Jaguar, see Friesner, R. A.; Murphy, R. B.; Beachy, M. D.; Ringnalda, M. N.; Pollard, W T; Dunietz, B. D.; Cao, Y. J. Phys. Chem. 1999, 103, 1913.
    • (1999) J. Phys. Chem. , vol.103 , pp. 1913
    • Friesner, R.A.1    Murphy, R.B.2    Beachy, M.D.3    Ringnalda, M.N.4    Pollard, W.T.5    Dunietz, B.D.6    Cao, Y.7


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.