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Volumn 112, Issue 6, 2000, Pages 2718-2735

Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

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EID: 0001477037     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480846     Document Type: Article
Times cited : (159)

References (90)
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    • Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
    • (1996) J. Radiat. Res. , vol.37 , pp. 20
    • Pinak, M.1    Yamaguchi, H.2    Osman, R.3


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