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Volumn 60, Issue 1, 1996, Pages 393-400

Chemical bonding in oxohalides of hypercoordinate nitrogen and phosphorus

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EID: 0011448427     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)60:1<393::AID-QUA38>3.0.CO;2-C     Document Type: Article
Times cited : (21)

References (42)
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    • E. Magnusson, J. Am. Chem. Soc. 112, 7940 (1990); Ibid., 115, 1051 (1993).
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    • R. D. Harcourt, J. Mol. Struct. 259, 155 (1992); Ibid., 300, 243 (1993).
    • (1993) J. Mol. Struct. , vol.300 , pp. 243
  • 16
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    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. Amos, S. Elbert, K. Hampel, W. Meyer, K. Peterson, R. Pitzer, and A. J. Stone (see ref. 14)
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. Amos, S. Elbert, K. Hampel, W. Meyer, K. Peterson, R. Pitzer, and A. J. Stone (see ref. 14).
  • 18
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    • The basis sets were in fact taken directly from the MOLPRO library (see ref. 14)
    • The basis sets were in fact taken directly from the MOLPRO library (see ref. 14).
  • 20
    • 0003978536 scopus 로고
    • Plenum, New York
    • For an account of different spin functions, and of the relationships between them, see: R. Pauncz, Spin Eigenfunctions (Plenum, New York, 1979).
    • (1979) Spin Eigenfunctions
    • Pauncz, R.1
  • 23
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    • These values are expressed in the Serber basis (ref. 17)
    • These values are expressed in the Serber basis (ref. 17).
  • 32
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    • Q. Williams, J. Sheridan, and W. Gordy, J. Chem. Phys. 20, 164 (1952); Y. S. Li, M. M. Chen, and J. R. Durig, J. Mol. Struct. 14, 261 (1972); J. H. Carpenter, R. Crane, and J. G. Smith, J. Mol. Spectrosc. 101, 306 (1983).
    • (1952) J. Chem. Phys. , vol.20 , pp. 164
    • Williams, Q.1    Sheridan, J.2    Gordy, W.3
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    • Q. Williams, J. Sheridan, and W. Gordy, J. Chem. Phys. 20, 164 (1952); Y. S. Li, M. M. Chen, and J. R. Durig, J. Mol. Struct. 14, 261 (1972); J. H. Carpenter, R. Crane, and J. G. Smith, J. Mol. Spectrosc. 101, 306 (1983).
    • (1972) J. Mol. Struct. , vol.14 , pp. 261
    • Li, Y.S.1    Chen, M.M.2    Durig, J.R.3
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    • Q. Williams, J. Sheridan, and W. Gordy, J. Chem. Phys. 20, 164 (1952); Y. S. Li, M. M. Chen, and J. R. Durig, J. Mol. Struct. 14, 261 (1972); J. H. Carpenter, R. Crane, and J. G. Smith, J. Mol. Spectrosc. 101, 306 (1983).
    • (1983) J. Mol. Spectrosc. , vol.101 , pp. 306
    • Carpenter, J.H.1    Crane, R.2    Smith, J.G.3
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    • note
    • 3PO, at the same modest level of theory, lead to geometries which are very similar to the experimental ones shown in Scheme 1.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.