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Volumn 54, Issue 2, 2005, Pages 301-312

Molecules in silico: Potential versus known organic compounds

Author keywords

[No Author keywords available]

Indexed keywords


EID: 29344449511     PISSN: 03406253     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (23)

References (14)
  • 1
    • 29344434218 scopus 로고    scopus 로고
    • Molecules in Silico: The Generation of Structural Formulae and its Applications
    • A. Kerber, R. Laue, M. Meringer, and C. Rücker. Molecules in Silico: The Generation of Structural Formulae and its Applications. J. Comput. Chem. Jpn., 3:85-96, 2004.
    • (2004) J. Comput. Chem. Jpn. , vol.3 , pp. 85-96
    • Kerber, A.1    Laue, R.2    Meringer, M.3    Rücker, C.4
  • 2
    • 0010002465 scopus 로고
    • Konstruktion molekularer Graphen mit gegebenen Hybridisierungen und überlappungsfreien Fragmenten
    • R. Grund. Konstruktion molekularer Graphen mit gegebenen Hybridisierungen und überlappungsfreien Fragmenten. Bayreuther Mathematische Schriften, 49:1-113, 1995.
    • (1995) Bayreuther Mathematische Schriften , vol.49 , pp. 1-113
    • Grund, R.1
  • 3
    • 0028811126 scopus 로고
    • MOLGEN+, a Generator of Connectivity Isomers and Stereoisomers for Molecular Structure Elucidation
    • C. Benecke, R. Grund, R. Hohberger, R. Laue, A. Kerber, and T. Wieland. MOLGEN+, a Generator of Connectivity Isomers and Stereoisomers for Molecular Structure Elucidation. Anal. Chim. Acta, 314:141-147, 1995.
    • (1995) Anal. Chim. Acta , vol.314 , pp. 141-147
    • Benecke, C.1    Grund, R.2    Hohberger, R.3    Laue, R.4    Kerber, A.5    Wieland, T.6
  • 4
    • 0040620927 scopus 로고    scopus 로고
    • Molecular Structure Generation with MOLGEN, new Features and Future Developments
    • C. Benecke, T. Grüner, A. Kerber, R. Laue, and T. Wieland. Molecular Structure Generation with MOLGEN, new Features and Future Developments. Fresenius J. Anal. Chern., 358:23-32, 1997.
    • (1997) Fresenius J. Anal. Chern. , vol.358 , pp. 23-32
    • Benecke, C.1    Grüner, T.2    Kerber, A.3    Laue, R.4    Wieland, T.5
  • 6
    • 0011686172 scopus 로고
    • Orderly Algorithms for Generating Restricted Classes of Graphs
    • C. J. Colborn and R. C. Read. Orderly Algorithms for Generating Restricted Classes of Graphs. J. Graph Theory, 3:187-195, 1979.
    • (1979) J. Graph Theory , vol.3 , pp. 187-195
    • Colborn, C.J.1    Read, R.C.2
  • 11
    • 11444261415 scopus 로고    scopus 로고
    • 6 Potential Energy Surface: A Computational Effort to Unravel the Relative Stabilities and Synthetic Feasibility of New Benzene Isomers
    • 6 Potential Energy Surface: A Computational Effort to Unravel the Relative Stabilities and Synthetic Feasibility of New Benzene Isomers. J. Phys. Chem. A, 108:11433-11448, 2004.
    • (2004) J. Phys. Chem. A , vol.108 , pp. 11433-11448
    • Dinadayalane, T.C.1    Priyakumar, U.D.2    Sastry, G.N.3
  • 12
    • 0001512541 scopus 로고    scopus 로고
    • P. v. R. Schleyer, N. L. Allingor, T. Clark, J. Gasteiger, P. A. Kollman, and H. F. Schaefer, editors, Wiley, Chichester
    • N. L. Allinger, J. R. Maple, and T. A. Halgren. In P. v. R. Schleyer, N. L. Allingor, T. Clark, J. Gasteiger, P. A. Kollman, and H. F. Schaefer, editors, Encyclopedia of Computational Chemistry, volume 2, pages 1013-1035. Wiley, Chichester, 1998.
    • (1998) Encyclopedia of Computational Chemistry , vol.2 , pp. 1013-1035
    • Allinger, N.L.1    Maple, J.R.2    Halgren, T.A.3
  • 14
    • 0036341388 scopus 로고    scopus 로고
    • How Many Organic Compounds are Graph-Theoretically Nonplanar?
    • C. Rücker and M. Meringer. How Many Organic Compounds are Graph-Theoretically Nonplanar? MATCH Commun. Math. Comput. Chem., 45:153-172, 2002.
    • (2002) MATCH Commun. Math. Comput. Chem. , vol.45 , pp. 153-172
    • Rücker, C.1    Meringer, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.