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Volumn 216, Issue 2, 2002, Pages 508-514

An improved anharmonic force field of difluoromethanimine, F2C = NH

Author keywords

Ab initio force field; Anharmonic force constants; Difluoromethanimine; Equilibrium structure; Spectroscopic constants

Indexed keywords

CHEMICAL BONDS; DATA REDUCTION; LEAST SQUARES APPROXIMATIONS; PERTURBATION TECHNIQUES; SPECTROSCOPIC ANALYSIS;

EID: 0036883032     PISSN: 00222852     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmsp.2002.8637     Document Type: Article
Times cited : (3)

References (28)
  • 8
    • 85031236244 scopus 로고    scopus 로고
    • private communications
    • H. Bürger, private communications (2000).
    • (2000)
    • Bürger, H.1
  • 9
    • 0003024761 scopus 로고    scopus 로고
    • P. v. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner, Eds. Wiley, Chichester
    • A. G. Császár, in "The Encyclopedia of Computational Chemistry" (P. v. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner, Eds.), pp. 13-30. Wiley, Chichester, 1998.
    • (1998) The Encyclopedia of Computational Chemistry , pp. 13-30
    • Császár, A.G.1
  • 15
    • 85031257338 scopus 로고    scopus 로고
    • note
    • INTDER is a general program developed by Wesley D. Allen and co-workers which performs various vibrational analyses and high-order nonlinear transformations among force field representations.
  • 19
    • 0001136801 scopus 로고
    • K. Narahari Rao and C. W. Mathews, Eds. Academic Press, San Diego
    • I. M. Mills, in "Molecular Spectroscopy: Modern Research" (K. Narahari Rao and C. W. Mathews, Eds.), Vol. 1, pp.115-140. Academic Press, San Diego, 1972.
    • (1972) Molecular Spectroscopy: Modern Research , vol.1 , pp. 115-140
    • Mills, I.M.1
  • 21
    • 85031248285 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions of R. D. Amos, A. Bernhardsson, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions of R. D. Amos, A. Bernhardsson, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson.
  • 22
    • 85031256817 scopus 로고    scopus 로고
    • GAMESS-UK is a package of ab initio programs written by M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy, I. H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrison, A. P. Rendell, V. R. Saunders, A. J. Stone, D. J. Tozer, and A. H. de Vries. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler, and J. Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980
    • GAMESS-UK is a package of ab initio programs written by M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy, I. H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrison, A. P. Rendell, V. R. Saunders, A. J. Stone, D. J. Tozer, and A. H. de Vries. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler, and J. Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.