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Volumn 119, Issue 52, 1997, Pages 12940-12946

Resonance in formamide and its chalcogen replacement analogues: A natural population analysis/natural resonance theory viewpoint

Author keywords

[No Author keywords available]

Indexed keywords

FORMAMIDE;

EID: 0031593109     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970074j     Document Type: Article
Times cited : (81)

References (28)
  • 3
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    • McGraw-Hill: New York
    • See, e.g.: (a) Carey, F. A. Organic Chemistry, 3rd ed.; McGraw-Hill: New York, 1996; p 809. (b) McMurry, J. Organic Chemistry, 4th ed.; Brooks/Cole: New York, 1996; p 942. (c) Solomons, T. W. G. Organic Chemistry, 6th ed.; Wiley: New York, 1996; p 906.
    • (1996) Organic Chemistry, 3rd Ed. , pp. 809
    • Carey, F.A.1
  • 4
    • 0004200260 scopus 로고    scopus 로고
    • Brooks/Cole: New York
    • See, e.g.: (a) Carey, F. A. Organic Chemistry, 3rd ed.; McGraw-Hill: New York, 1996; p 809. (b) McMurry, J. Organic Chemistry, 4th ed.; Brooks/Cole: New York, 1996; p 942. (c) Solomons, T. W. G. Organic Chemistry, 6th ed.; Wiley: New York, 1996; p 906.
    • (1996) Organic Chemistry, 4th Ed. , pp. 942
    • McMurry, J.1
  • 5
    • 0004192250 scopus 로고    scopus 로고
    • Wiley: New York
    • See, e.g.: (a) Carey, F. A. Organic Chemistry, 3rd ed.; McGraw-Hill: New York, 1996; p 809. (b) McMurry, J. Organic Chemistry, 4th ed.; Brooks/Cole: New York, 1996; p 942. (c) Solomons, T. W. G. Organic Chemistry, 6th ed.; Wiley: New York, 1996; p 906.
    • (1996) Organic Chemistry, 6th Ed. , pp. 906
    • Solomons, T.W.G.1
  • 18
    • 2642651055 scopus 로고
    • Ph.D. Thesis, University of Wisconsin, Madison, WI
    • NRT: (a) Glendening, E. D. Ph.D. Thesis, University of Wisconsin, Madison, WI, 1991. (b) Glendening, E. D.; Weinhold, F. J. Comput. Chem., submitted. NRT is implemented in version 4.0 of the NBO program (ref 16).
    • (1991)
    • Glendening, E.D.1
  • 19
    • 2642711649 scopus 로고    scopus 로고
    • submitted. NRT is implemented in version 4.0 of the NBO program (ref 16)
    • NRT: (a) Glendening, E. D. Ph.D. Thesis, University of Wisconsin, Madison, WI, 1991. (b) Glendening, E. D.; Weinhold, F. J. Comput. Chem., submitted. NRT is implemented in version 4.0 of the NBO program (ref 16).
    • J. Comput. Chem.
    • Glendening, E.D.1    Weinhold, F.2
  • 21
    • 0004025325 scopus 로고    scopus 로고
    • Theoretical Chemistry Institute: Madison, WI
    • (b) Weinhold, F. NBO 4.0 Program Manual; Theoretical Chemistry Institute: Madison, WI, 1996.
    • (1996) NBO 4.0 Program Manual
    • Weinhold, F.1
  • 25
    • 0000189651 scopus 로고
    • B3LYP: (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 26
    • 0345491105 scopus 로고
    • B3LYP: (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 28
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    • note
    • Natural charges for the planar and saddle point geometries of formamide and thioformamide were previously reported by Wiberg and -Rablen (ref 9) at the MP2(full)/6-31+G* level but were not discussed in detail.


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