메뉴 건너뛰기




Volumn 112, Issue 16, 2000, Pages 6983-6996

Finding transition structures in extended systems: A strategy based on a combined quantum mechanics-empirical valence bond approach

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001445173     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481296     Document Type: Article
Times cited : (136)

References (61)
  • 1
    • 19644397033 scopus 로고    scopus 로고
    • edited by K. B. Lipkowitz and D. B. Boyd VCH, New York
    • A. St-Amant, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1996), Vol. 7, p. 217.
    • (1996) Reviews in Computational Chemistry , vol.7 , pp. 217
    • St-Amant, A.1
  • 2
    • 0001966272 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • J. Sponer and P. Hobza, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 1, p. 777.
    • (1998) Encyclopedia of Computational Chemistry , vol.1 , pp. 777
    • Sponer, J.1    Hobza, P.2
  • 4
    • 0000945902 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Sehreiner Wiley, Chichester
    • J. R. Maple, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Sehreiner (Wiley, Chichester, 1998), Vol. 2, p. 1015.
    • (1998) Encyclopedia of Computational Chemistry , vol.2 , pp. 1015
    • Maple, J.R.1
  • 18
    • 0000519270 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • P. Amara and M. J. Field, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 1, p. 431.
    • (1998) Encyclopedia of Computational Chemistry , vol.1 , pp. 431
    • Amara, P.1    Field, M.J.2
  • 19
    • 0001135663 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • M. F. Ruiz-López and J.-L. Rivail, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 1, p. 437.
    • (1998) Encyclopedia of Computational Chemistry , vol.1 , pp. 437
    • Ruiz-López, M.F.1    Rivail, J.-L.2
  • 20
    • 0001579763 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • R. D. J. Froese and K. Morokuma, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 2, p. 1244.
    • (1998) Encyclopedia of Computational Chemistry , vol.2 , pp. 1244
    • Froese, R.D.J.1    Morokuma, K.2
  • 21
    • 0000293506 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • J. Gao, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 2, p. 1257.
    • (1998) Encyclopedia of Computational Chemistry , vol.2 , pp. 1257
    • Gao, J.1
  • 22
    • 0000974271 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • K. M. Merz, Jr. and R. V. Stanton, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 4, p. 2330.
    • (1998) Encyclopedia of Computational Chemistry , vol.4 , pp. 2330
    • Merz K.M., Jr.1    Stanton, R.V.2
  • 23
    • 0001369896 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • J. Tomasi and C. S. Pomelli, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 4, p. 2343.
    • (1998) Encyclopedia of Computational Chemistry , vol.4 , pp. 2343
    • Tomasi, J.1    Pomelli, C.S.2
  • 37
    • 0000036824 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner Wiley, Chichester
    • H. B. Schlegel, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. L. Allinger, P. A. Kollman, T. Clark, H. F. Schaefer III, J. Gasteiger, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 2, p. 1136.
    • (1998) Encyclopedia of Computational Chemistry , vol.2 , pp. 1136
    • Schlegel, H.B.1
  • 39
    • 77958398767 scopus 로고
    • C. G. Broyden, J. Inst. Math. Appl. 6, 76 (1970); R. Fletcher, Comput. J. (UK) 13, 317 (1970); D. Goldfarb, Math. Comput. 24, 23 (1970); D. F. Shanno, Math. Comput. 24, 647 (1970).
    • (1970) J. Inst. Math. Appl. , vol.6 , pp. 76
    • Broyden, C.G.1
  • 40
    • 0014825610 scopus 로고
    • UK
    • C. G. Broyden, J. Inst. Math. Appl. 6, 76 (1970); R. Fletcher, Comput. J. (UK) 13, 317 (1970); D. Goldfarb, Math. Comput. 24, 23 (1970); D. F. Shanno, Math. Comput. 24, 647 (1970).
    • (1970) Comput. J. , vol.13 , pp. 317
    • Fletcher, R.1
  • 41
    • 84966251980 scopus 로고
    • C. G. Broyden, J. Inst. Math. Appl. 6, 76 (1970); R. Fletcher, Comput. J. (UK) 13, 317 (1970); D. Goldfarb, Math. Comput. 24, 23 (1970); D. F. Shanno, Math. Comput. 24, 647 (1970).
    • (1970) Math. Comput. , vol.24 , pp. 23
    • Goldfarb, D.1
  • 42
    • 84968497764 scopus 로고
    • C. G. Broyden, J. Inst. Math. Appl. 6, 76 (1970); R. Fletcher, Comput. J. (UK) 13, 317 (1970); D. Goldfarb, Math. Comput. 24, 23 (1970); D. F. Shanno, Math. Comput. 24, 647 (1970).
    • (1970) Math. Comput. , vol.24 , pp. 647
    • Shanno, D.F.1
  • 44
    • 0003592910 scopus 로고
    • Butterworth-Heinemann, London
    • W. M. Meier and D. H. Olson, Atlas of Zeolite Structure Types (Butterworth-Heinemann, London, 1992), p. 72; available also under: www.iza-sc.ethz.ch/IZA-SC/Atlas/AtlasHome.html
    • (1992) Atlas of Zeolite Structure Types , pp. 72
    • Meier, W.M.1    Olson, D.H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.