journal article Apr 01, 1998

Experimental and Theoretical ab Initio Study of the 13C−13C Spin−Spin Coupling and 1H and 13C Shielding Tensors in Ethane, Ethene, and Ethyne

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References
82
[1]
Lounila J. Prog. NMR Spectrosc. (1982) 10.1016/0079-6565(82)80004-6
[2]
Jokisaari, J.Encyclopedia of NMR Spectroscopy; John Wiley & Sons:  New York, 1996; Vol. 2, pp 839−48.
[3]
Wasylishen, R. E.Encyclopedia of NMR Spectroscopy; John Wiley & Sons:  New York, 1996; Vol. 3, pp 1685−95.
[4]
Sýkora S. J. Magn. Reson. (1979)
[5]
Lounila J. J. Magn. Reson. (1984)
[6]
Lounila J. Mol. Phys. (1984) 10.1080/00268978400101591
[7]
Lounila J. Mol. Phys. (1986) 10.1080/00268978600101661
[8]
Orendt, A. M.Encyclopedia of NMR Spectroscopy; John Wiley & Sons:  New York, 1996; Vol. 2, pp 1282−97.
[9]
Sekino H. J. Chem. Phys. (1986)
[10]
Galasso V. J. Chem. Phys. (1985) 10.1063/1.448518
[11]
Galasso V. J. Chem. Phys. (1986) 10.1063/1.450252
[12]
Geertsen J. Chem. Phys. (1987)
[13]
Geertsen J. J. Chem. Phys. (1987) 10.1063/1.453722
[14]
Vahtras O. J. Chem. Phys. (1992) 10.1063/1.462444
[15]
Malkin V. G. Chem. Phys. Lett. (1994) 10.1016/0009-2614(94)87023-3
[16]
Dickson R. M. J. Phys. Chem. (1996)
[17]
Kutzelnigg W. Isr. J. Chem. (1980) 10.1002/ijch.198000020
[18]
Schindler M. J. Chem. Phys. (1982)
[19]
Hansen Aa. E. J. Chem. Phys. (1985)
[20]
Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Wolinski, James F. Hinton, Péter Pulay

Journal of the American Chemical Society 1990 10.1021/ja00179a005
[21]
Gauss J. J. Chem. Phys. (1993) 10.1063/1.466161
[22]
Ruud K. J. Chem. Phys. (1994) 10.1063/1.466812
[23]
Schreckenbach G. J. Phys. Chem. (1995) 10.1021/j100002a024
[24]
Malkin, V. G.; Malkina, O. L.; Erikson, L. A.; Salahub, D. R. InModern Density-Functional Theory:  A Tool for Chemistry, Vol. 2 ofTheoretical and Computational Chemistry; Politzer, P., Seminario, J. M., Eds.; Elsevier:  Amsterdam, 1995; p 273. 10.1016/s1380-7323(05)80039-1
[25]
Gauss J. J. Chem. Phys. (1996) 10.1063/1.471005
[26]
Helgaker T. J. Chem. Phys. (1991) 10.1063/1.460912
[27]
13C−13C Spin−Spin Coupling Tensors in Benzene As Determined Experimentally by Liquid Crystal NMR and Theoretically by ab Initio Calculations

Jaakko Kaski, Juha Vaara, Jukka Jokisaari

Journal of the American Chemical Society 1996 10.1021/ja961263p
[28]
Sandström D. J. Am. Chem. Soc. (1994)
[29]
Sandström D. J. Am. Chem. Soc. (1996) 10.1021/ja9601853
[30]
Diehl P. Mol. Phys. (1975) 10.1080/00268977500100211
[31]
Wasser R. Magn. Reson. Chem. (1987) 10.1002/mrc.1260250906
[32]
Diehl P. J. Magn. Reson. (1974)
[33]
van der Est A. J. J. Chem. Phys. (1988) 10.1063/1.455700
[34]
Lynden-Bell R. M. Proc. R. Soc. A (1962)
[35]
Englert G. Z. Naturforsch. (1972) 10.1515/zna-1972-0103
[36]
Mohanty S. Chem. Phys. Lett. (1973) 10.1016/0009-2614(73)80471-3
[37]
Diehl P. Isr. J. Chem. (1983) 10.1002/ijch.198300039
[38]
Solum M. S. J. Am. Chem. Soc. (1986) 10.1021/ja00281a003
[39]
Zilm K. W. J. Am. Chem. Soc. (1980)
[40]
Zilm K. W. J. Am. Chem. Soc. (1981)
[41]
Geertsen J. Chem. Phys. (1986) 10.1016/0301-0104(86)80154-9
[42]
Perera S. A. J. Chem. Phys. (1996)
[43]
Buckingham A. D. J. Magn. Reson. (1970)
[44]
Nakatsuji H. Chem. Phys. Lett. (1970) 10.1016/0009-2614(70)80096-3
[45]
Nakatsuji H. Bull. Chem. Soc. Jpn. (1971) 10.1246/bcsj.44.2010
[46]
Facelli J. C. J. Magn. Reson. (1984)
[47]
Pyykkö P. Mol. Phys. (1981) 10.1080/00268978100101511
[48]
Rizzo A. J. Chem. Phys. (1995) 10.1063/1.468949
[49]
Chesnut D. B. Chem. Phys. (1997) 10.1016/s0301-0104(96)00296-0
[50]
Grayson M. Mol. Phys. (1994) 10.1080/00268979400100351

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Details
Published
Apr 01, 1998
Vol/Issue
120(16)
Pages
3993-4005
Cite This Article
Jaakko Kaski, Perttu Lantto, Juha Vaara, et al. (1998). Experimental and Theoretical ab Initio Study of the 13C−13C Spin−Spin Coupling and 1H and 13C Shielding Tensors in Ethane, Ethene, and Ethyne. Journal of the American Chemical Society, 120(16), 3993-4005. https://doi.org/10.1021/ja972936m
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