-
1
-
-
0003975118
-
-
CRC Press: Boca Raton, FL
-
Scheer, H., Ed. In Chlorophylls; CRC Press: Boca Raton, FL, 1991.
-
(1991)
Chlorophylls
-
-
Scheer, H.1
-
2
-
-
0041287957
-
-
Grant, D. M., Harris, R. K., Eds.; John Wiley: London
-
Facelli, J. C. In Encyclopedia of Nuclear Magnetic Resonance; Grant, D. M., Harris, R. K., Eds.; John Wiley: London, 1996; p 4299. de Dios, A. C.; Oldfield, E. Solid State Nucl. Magn. Reson. 1996, 6, 101. Tosell, J. A., Ed. In Nuclear Magnetic Shieldings and Molecular Structure, Kluwer: Dordrecht, 1993.
-
(1996)
Encyclopedia of Nuclear Magnetic Resonance
, pp. 4299
-
-
Facelli, J.C.1
-
3
-
-
0030111928
-
-
Facelli, J. C. In Encyclopedia of Nuclear Magnetic Resonance; Grant, D. M., Harris, R. K., Eds.; John Wiley: London, 1996; p 4299. de Dios, A. C.; Oldfield, E. Solid State Nucl. Magn. Reson. 1996, 6, 101. Tosell, J. A., Ed. In Nuclear Magnetic Shieldings and Molecular Structure, Kluwer: Dordrecht, 1993.
-
(1996)
Solid State Nucl. Magn. Reson.
, vol.6
, pp. 101
-
-
De Dios, A.C.1
Oldfield, E.2
-
4
-
-
0003490993
-
-
Kluwer: Dordrecht
-
Facelli, J. C. In Encyclopedia of Nuclear Magnetic Resonance; Grant, D. M., Harris, R. K., Eds.; John Wiley: London, 1996; p 4299. de Dios, A. C.; Oldfield, E. Solid State Nucl. Magn. Reson. 1996, 6, 101. Tosell, J. A., Ed. In Nuclear Magnetic Shieldings and Molecular Structure, Kluwer: Dordrecht, 1993.
-
(1993)
Nuclear Magnetic Shieldings and Molecular Structure
-
-
Tosell, J.A.1
-
5
-
-
0011575316
-
-
Grant, D. M.; Liu, F.; Iuliucci, R. J.; Phung, C. G.; Facelli, J. C.; Alderman, D. W. Acta Crystallogr. 1995, B51, 540. Facelli, J. C.; Grant, D. M. Nature 1993, 365, 325. Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1996, 118, 5488. Solum, M. S.; Altman, K.; Strohmeyer, M.; Burges, D.; Zhang, Y.; Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1997, 119, 9804.
-
(1995)
Acta Crystallogr.
, vol.B51
, pp. 540
-
-
Grant, D.M.1
Liu, F.2
Iuliucci, R.J.3
Phung, C.G.4
Facelli, J.C.5
Alderman, D.W.6
-
6
-
-
0027922937
-
-
Grant, D. M.; Liu, F.; Iuliucci, R. J.; Phung, C. G.; Facelli, J. C.; Alderman, D. W. Acta Crystallogr. 1995, B51, 540. Facelli, J. C.; Grant, D. M. Nature 1993, 365, 325. Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1996, 118, 5488. Solum, M. S.; Altman, K.; Strohmeyer, M.; Burges, D.; Zhang, Y.; Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1997, 119, 9804.
-
(1993)
Nature
, vol.365
, pp. 325
-
-
Facelli, J.C.1
Grant, D.M.2
-
7
-
-
0029942125
-
-
Grant, D. M.; Liu, F.; Iuliucci, R. J.; Phung, C. G.; Facelli, J. C.; Alderman, D. W. Acta Crystallogr. 1995, B51, 540. Facelli, J. C.; Grant, D. M. Nature 1993, 365, 325. Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1996, 118, 5488. Solum, M. S.; Altman, K.; Strohmeyer, M.; Burges, D.; Zhang, Y.; Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1997, 119, 9804.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 5488
-
-
Facelli, J.C.1
Pugmaire, R.J.2
Grant, D.M.3
-
8
-
-
0030664068
-
-
Grant, D. M.; Liu, F.; Iuliucci, R. J.; Phung, C. G.; Facelli, J. C.; Alderman, D. W. Acta Crystallogr. 1995, B51, 540. Facelli, J. C.; Grant, D. M. Nature 1993, 365, 325. Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1996, 118, 5488. Solum, M. S.; Altman, K.; Strohmeyer, M.; Burges, D.; Zhang, Y.; Facelli, J. C.; Pugmaire, R. J.; Grant, D. M. J. Am. Chem. Soc. 1997, 119, 9804.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 9804
-
-
Solum, M.S.1
Altman, K.2
Strohmeyer, M.3
Burges, D.4
Zhang, Y.5
Facelli, J.C.6
Pugmaire, R.J.7
Grant, D.M.8
-
10
-
-
0039367138
-
-
Raynes, W. T.; Buckingham, A. D.; Bernstein, H. J. J. Chem. Phys. 1962, 36, 3481.
-
(1962)
J. Chem. Phys.
, vol.36
, pp. 3481
-
-
Raynes, W.T.1
Buckingham, A.D.2
Bernstein, H.J.3
-
16
-
-
0344630122
-
-
Limantara, L.; Kurimoto, Y.; Furukawa, K.; Shimamura, T.; Utsumi, H.; Katheder, I.; Scheer, H.; Koyama, Y. Chem. Phys. Lett. 1995, 236, 71.
-
(1995)
Chem. Phys. Lett.
, vol.236
, pp. 71
-
-
Limantara, L.1
Kurimoto, Y.2
Furukawa, K.3
Shimamura, T.4
Utsumi, H.5
Katheder, I.6
Scheer, H.7
Koyama, Y.8
-
17
-
-
0013319426
-
-
Barkigia, K. M.; Fajer, J.; Smith, K. M.; Williams, G. J. B. J. Am. Chem. Soc. 1981, 103, 5890.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 5890
-
-
Barkigia, K.M.1
Fajer, J.2
Smith, K.M.3
Williams, G.J.B.4
-
19
-
-
33845183329
-
-
Barkigia, K. M.; Gottfried, D. S.; Boxer, S. G.; Fajer, J. J. Am Chem. Soc. 1989, 111, 6444.
-
(1989)
J. Am Chem. Soc.
, vol.111
, pp. 6444
-
-
Barkigia, K.M.1
Gottfried, D.S.2
Boxer, S.G.3
Fajer, J.4
-
20
-
-
0029794254
-
-
Marchi, M.; Hutter, J.; Parrinello, M. J. Am. Chem. Soc. 1996, 118, 7847.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 7847
-
-
Marchi, M.1
Hutter, J.2
Parrinello, M.3
-
21
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94 (Revision E.2); Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94 (Revision E.2)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
22
-
-
0003568278
-
-
Schaefer, H. F., III, Ed.; Plenum: New York
-
Dunning, T. H.; Hay, P. J. In Modern Theoretical Chemistry; Schaefer, H. F., III, Ed.; Plenum: New York, 1976; p 1.
-
(1976)
Modern Theoretical Chemistry
, pp. 1
-
-
Dunning, T.H.1
Hay, P.J.2
-
23
-
-
33745770836
-
-
Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270, 284, 299.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 270
-
-
Hay, P.J.1
Wadt, W.R.2
-
24
-
-
0030741216
-
-
Strohmeyer, M.; Orendt, A. M.; Facelli, J. C.; Solum, M. S.; Pugmire, R. J.; Parry, R. W.; Grant, D. M. J. Am. Chem. Soc. 1997, 119 (9), 7114.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, Issue.9
, pp. 7114
-
-
Strohmeyer, M.1
Orendt, A.M.2
Facelli, J.C.3
Solum, M.S.4
Pugmire, R.J.5
Parry, R.W.6
Grant, D.M.7
-
25
-
-
1242268874
-
-
Cheeseman, J. R.; Trucks, G. W.; Keith, T. A.; Frisch, M. J. J. Chem. Phys. 1996, 104, 5497.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5497
-
-
Cheeseman, J.R.1
Trucks, G.W.2
Keith, T.A.3
Frisch, M.J.4
-
26
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785. Becke, A. D. Phys. Rev. 1988, A38, 3098.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
27
-
-
4243553426
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785. Becke, A. D. Phys. Rev. 1988, A38, 3098.
-
(1988)
Phys. Rev.
, vol.A38
, pp. 3098
-
-
Becke, A.D.1
-
28
-
-
11744305193
-
-
Wolinski, K.; Hinton, J. F.; Pulay, P. J. Am. Chem. Soc. 1990, 112, 8251.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8251
-
-
Wolinski, K.1
Hinton, J.F.2
Pulay, P.3
-
31
-
-
0001843659
-
-
Mason, J., Ed.; Plenum: New York
-
Jameson, J. C.; Mason, J. In Multinuclear NMR; Mason, J., Ed.; Plenum: New York, 1987; p 56.
-
(1987)
Multinuclear NMR
, pp. 56
-
-
Jameson, J.C.1
Mason, J.2
-
33
-
-
11644297033
-
-
note
-
The structures considered in this paper are available (.pdb files) upon request from the author: facelli@chpc.utah.edu.
-
-
-
-
34
-
-
11644290624
-
-
Matsuzawa, N.; Ata, M.; Dixon, D. A. J. Chem. Phys. 1995, 99, 7698.
-
(1995)
J. Chem. Phys.
, vol.99
, pp. 7698
-
-
Matsuzawa, N.1
Ata, M.2
Dixon, D.A.3
-
36
-
-
33845278875
-
-
Barkigia, K. M.; Chantranupong, L.; Smith, K. M.; Fajer, J. J. Am. Chem. Soc. 1988, 110, 7566.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 7566
-
-
Barkigia, K.M.1
Chantranupong, L.2
Smith, K.M.3
Fajer, J.4
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