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Volumn 128, Issue 26, 2006, Pages 8434-8440

Electronic properties of furyl substituents at phosphorus and their influence on 31P NMR chemical shifts

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; MAGNETIC RESONANCE SPECTROSCOPY; MAGNETIC SHIELDING; NUCLEAR MAGNETIC RESONANCE;

EID: 33745700260     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja057085u     Document Type: Article
Times cited : (32)

References (59)
  • 21
    • 4043062811 scopus 로고    scopus 로고
    • High-resolution NMR of quadrupolar nuclei in solids: The satellite-transition magic angle spinning (STMAS) experiment
    • (b) Ashbrook, S. E.; Wimperis, S. High-resolution NMR of quadrupolar nuclei in solids: The satellite-transition magic angle spinning (STMAS) experiment. Prog. Nucl. Magn. Reson. Spectrosc. 2004, 45, 53.
    • (2004) Prog. Nucl. Magn. Reson. Spectrosc. , vol.45 , pp. 53
    • Ashbrook, S.E.1    Wimperis, S.2
  • 52
    • 11244282931 scopus 로고    scopus 로고
    • Gaussian, Inc, Wallingford CT. For full citation, see Supporting Information
    • (a) Gaussian 03, Revision D.01/D02, Frisch, M. J. et al. Gaussian, Inc, Wallingford CT, 2004. For full citation, see Supporting Information.
    • (2004) Gaussian 03, Revision D.01/D02
    • Frisch, M.J.1
  • 54
    • 35348906888 scopus 로고
    • The TZ2P basis set was constructed from the Dunning triple-ζ set Dunning, T. H., Jr.
    • (c) The TZ2P basis set was constructed from the Dunning triple-ζ set (Dunning, T. H., Jr. J. Chem. Phys. 1971, 55, 716. available from http://www.emsl.pnl.gov/forms/basisform.html.
    • (1971) J. Chem. Phys. , vol.55 , pp. 716
  • 55
    • 0141509423 scopus 로고
    • For phosphorus and chlorine the 6s5p contraction of the Huzinaga 12s9p scheme was used as reported in McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72 (10), 5639.
    • (1980) J. Chem. Phys. , vol.72 , Issue.10 , pp. 5639
    • McLean, A.D.1    Chandler, G.S.2
  • 56
    • 33745680285 scopus 로고    scopus 로고
    • The standard pairs of polarization function were added by C. Janssen April 5, 1991 as suggested by Brian Yates, see: http://zopyros.ccqc.uga.edu/psi/ Psiman/basis_set_info.txt.
  • 57
    • 0012154673 scopus 로고    scopus 로고
    • (d) The G3large basis set corresponds to the G3large basis set used in the MP2(full) calculation in G3 theory (Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764). See: http://chemistry.anl.gov/compmat/G3basis/hkrg31.txt
    • (1998) J. Chem. Phys. , vol.109 , pp. 7764
    • Curtiss, L.A.1    Raghavachari, K.2    Redfern, P.C.3    Rassolov, V.4    Pople, J.A.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.