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Volumn 105, Issue 30, 2001, Pages 7297-7307

An exploration of long range electronic effects in substituted alkanes

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS IN MOLECULES (AIM) METHOD;

EID: 0035797758     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010833r     Document Type: Article
Times cited : (6)

References (64)
  • 1
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    • John Wiley & Sons: New York
    • rd ed.; John Wiley & Sons: New York, 1985.
    • (1985) rd Ed.
    • March, J.1
  • 34
    • 0003955395 scopus 로고
    • Oxford University Press: New York and London
    • Coulson, C. A. Valence; Oxford University Press: New York and London, 1961; pp 196-225.
    • (1961) Valence , pp. 196-225
    • Coulson, C.A.1
  • 35
  • 40
    • 33751139739 scopus 로고    scopus 로고
    • Semichem, Shawnee, KS
    • Semichem, Shawnee, KS.
  • 42
    • 33751136219 scopus 로고    scopus 로고
    • http://www.chemistry.mcmaster.ca/ampac, November, 1997.
  • 43
    • 0011578586 scopus 로고    scopus 로고
    • A similar plot is obtained with NBO charges
    • A similar plot is obtained with NBO charges.
  • 45
    • 33751148826 scopus 로고    scopus 로고
    • The actual charge on the N is negative and those on the hydrogen atoms are positive; presumably, the real center of charge is past the nitrogen, roughly along the C1-N vector
    • The actual charge on the N is negative and those on the hydrogen atoms are positive; presumably, the real center of charge is past the nitrogen, roughly along the C1-N vector.
  • 46
    • 33751132735 scopus 로고    scopus 로고
    • 1 as the carbon bonded to the nitrogen
    • 1 as the carbon bonded to the nitrogen.
  • 51
    • 0000097150 scopus 로고    scopus 로고
    • Schleyer, P. v. R., Ed.; John Wiley & Sons: New York
    • Weinhold, F. In Encyclopedia of Computational Chemistry, Schleyer, P. v. R., Ed.; John Wiley & Sons: New York, 1998; Vol. 3, pp 1792-1811.
    • (1998) Encyclopedia of Computational Chemistry , vol.3 , pp. 1792-1811
    • Weinhold, F.1
  • 54
    • 33751135852 scopus 로고    scopus 로고
    • A similar relationship holds for the NBOC. The raw data are given in Supplementary Table S2 for both SOP and NBOC
    • A similar relationship holds for the NBOC. The raw data are given in Supplementary Table S2 for both SOP and NBOC.
  • 55
    • 33751126645 scopus 로고    scopus 로고
    • Others have commented that the difference in the foundation of the two methods might make significant differences in their predictions: see Reference 9
    • Others have commented that the difference in the foundation of the two methods might make significant differences in their predictions: see Reference 9.
  • 62
    • 33751128311 scopus 로고    scopus 로고
    • The minimized angles are: C3-C2-C1-F, -60 04°, C4-C3-C2-C1, -65.81°, and C5-C4-C3-C2, -175.93°
    • The minimized angles are: C3-C2-C1-F, -60 04°, C4-C3-C2-C1, -65.81°, and C5-C4-C3-C2, -175.93°.
  • 64
    • 33751121858 scopus 로고    scopus 로고
    • The minimized angles are: C3-C2-C1-Si, -61.74°, C4-C3-C2-C1, -62.55°, and C5-C4-C3-C2, -175.10°
    • The minimized angles are: C3-C2-C1-Si, -61.74°, C4-C3-C2-C1, -62.55°, and C5-C4-C3-C2, -175.10°.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.