-
2
-
-
0001823978
-
-
Olah, G. A., Wade, K., Williams, R. E., Eds.; Wiley: New York
-
Williams, R. E. In Electron Deficient Boron and Carbon Clusters; Olah, G. A., Wade, K., Williams, R. E., Eds.; Wiley: New York, 1991; pp 11-93.
-
(1991)
Electron Deficient Boron and Carbon Clusters
, pp. 11-93
-
-
Williams, R.E.1
-
3
-
-
0006831325
-
-
Enrione, R. E.; Boer, F. P.; Lipscomb, W. N. Inorg. Chem. 1964, 3, 1659-1666.
-
(1964)
Inorg. Chem.
, vol.3
, pp. 1659-1666
-
-
Enrione, R.E.1
Boer, F.P.2
Lipscomb, W.N.3
-
4
-
-
0542392636
-
-
Micciche, R. P.; Briguglio, J. J.; Sneddon, L. G. Organometallics 1984, 3, 1396-1402.
-
(1984)
Organometallics
, vol.3
, pp. 1396-1402
-
-
Micciche, R.P.1
Briguglio, J.J.2
Sneddon, L.G.3
-
6
-
-
0041122851
-
-
Kang, S. O.; Bausch, J. W.; Carroll, P. J.; Sneddon, L. G. J. Am. Chem. Soc. 1992, 114, 6248-6249.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 6248-6249
-
-
Kang, S.O.1
Bausch, J.W.2
Carroll, P.J.3
Sneddon, L.G.4
-
8
-
-
0000219892
-
-
Bausch, J. W.; Prakash, G. K. S.; Bühl, M.; Schleyer, P. v. R.; Williams, R. E. Inorg. Chem. 1992, 31, 3060-3062.
-
(1992)
Inorg. Chem.
, vol.31
, pp. 3060-3062
-
-
Bausch, J.W.1
Prakash, G.K.S.2
Bühl, M.3
Schleyer, P.V.R.4
Williams, R.E.5
-
9
-
-
0038914468
-
-
Onak, T.; Tseng, J.; Tran, D.; Herrera, S.; Chan, B.; Arias, J.; Diaz, M. Inorg. Chem. 1992, 31, 3910-3913.
-
(1992)
Inorg. Chem.
, vol.31
, pp. 3910-3913
-
-
Onak, T.1
Tseng, J.2
Tran, D.3
Herrera, S.4
Chan, B.5
Arias, J.6
Diaz, M.7
-
10
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
(a) Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres. J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian92; Gaussian, Inc.: Pittsburgh, PA, 1992. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; 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 B.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1992)
Gaussian92
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
11
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
(a) Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres. J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian92; Gaussian, Inc.: Pittsburgh, PA, 1992. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; 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 B.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.1
-
-
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.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..
-
12
-
-
84983920787
-
-
Pople, J. A.; Krishnan, R.; Schlegel. H. B.; DeFrees, D.; Binkley, J. S.; Frisch, M. J.; Whiteside, R. F.; Hout, R. F.; Hehre, W. J. Int. J. Quantum Chem. Symp. 1981, 15, 269-278.
-
(1981)
Int. J. Quantum Chem. Symp.
, vol.15
, pp. 269-278
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
DeFrees, D.4
Binkley, J.S.5
Frisch, M.J.6
Whiteside, R.F.7
Hout, R.F.8
Hehre, W.J.9
-
13
-
-
0000572756
-
-
Diehl, P., Fluck, E., Günther, H., Kosfeld, R., Seelig, J., Eds.; Springer-Verlag: Berlin, and references therein
-
See: Kutzelnigg, W.; Fleischer, U.; Schindler, M. In NMR, Principles and Progress; Diehl, P., Fluck, E., Günther, H., Kosfeld, R., Seelig, J., Eds.; Springer-Verlag: Berlin, 1990; Vol. 23, pp 165-262 and references therein.
-
(1990)
NMR, Principles and Progress
, vol.23
, pp. 165-262
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
14
-
-
0038619345
-
-
The Schleyer group recognized the potential of the IGLO method to distinguish between structural alternatives for a variety of polyboranes and carboranes, provided that ab initio optimized structures are employed as input for the IGLO calculations. They called this technique the ab initio/IGLO/NMR method. See: Bühl, M.; Schleyer, P. v. R. J. Am. Chem. Soc. 1992, 114, 477-491.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 477-491
-
-
Bühl, M.1
Schleyer, P.V.R.2
-
15
-
-
0039936011
-
-
The ab initio/IGLO/NMR method has since been applied to a variety of other systems. See footnote 17 in: Diaz, M.; Jaballas, J.; Tran, D.; Lee, H.; Arias, J.; Onak, T. Inorg. Chem. 1996, 35, 4536-4540.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 4536-4540
-
-
Diaz, M.1
Jaballas, J.2
Tran, D.3
Lee, H.4
Arias, J.5
Onak, T.6
-
16
-
-
33947476423
-
-
Onak, T. P.; Landesman, H. L.; Williams, R. E. J. Phys. Chem. 1959, 63, 1533-1535.
-
(1959)
J. Phys. Chem.
, vol.63
, pp. 1533-1535
-
-
Onak, T.P.1
Landesman, H.L.2
Williams, R.E.3
-
17
-
-
24544439554
-
-
Lee, S. Inorg. Chem. 1992, 31, 3063-3066.
-
(1992)
Inorg. Chem.
, vol.31
, pp. 3063-3066
-
-
Lee, S.1
-
18
-
-
0542392629
-
-
Bausch, J. W.; Tebben, A. J. Work in progress
-
Bausch, J. W.; Tebben, A. J. Work in progress.
-
-
-
-
19
-
-
0042296216
-
-
Maruca, R.; Odom, J. D.; Schaeffer, R. Inorg. Chem. 1968, 7, 412-418.
-
(1968)
Inorg. Chem.
, vol.7
, pp. 412-418
-
-
Maruca, R.1
Odom, J.D.2
Schaeffer, R.3
-
21
-
-
36449002507
-
-
Curtiss, L. A.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1993, 98, 1293-1298.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1293-1298
-
-
Curtiss, L.A.1
Raghavachari, K.2
Pople, J.A.3
-
22
-
-
0000139719
-
-
Brisuglio, J. J.; Carroll, P. J.; Corcoran, E. W., Jr.; Sneddon, L. G. Inorg. Chem. 1986, 25, 4618-4622.
-
(1986)
Inorg. Chem.
, vol.25
, pp. 4618-4622
-
-
Brisuglio, J.J.1
Carroll, P.J.2
Corcoran Jr., E.W.3
Sneddon, L.G.4
-
24
-
-
0542392631
-
-
M.S. Thesis, Villanova University
-
Tebben, A. J. M.S. Thesis, Villanova University, 1997.
-
(1997)
-
-
Tebben, A.J.1
-
25
-
-
85088245395
-
-
personal communication to J.W.B.
-
2- have also been investigated computationally by T. Onak (personal communication to J.W.B.).
-
-
-
Onak, T.1
-
26
-
-
0038176212
-
-
(a) Gotcher, A. J.; Ditter, J. F.; Williams, R. E. J. Am. Chem. Soc. 1973, 95, 5, 7514-7516.
-
(1973)
J. Am. Chem. Soc.
, vol.95
, Issue.5
, pp. 7514-7516
-
-
Gotcher, A.J.1
Ditter, J.F.2
Williams, R.E.3
-
28
-
-
0029955478
-
-
7. See: Bausch, J. W.; Matoka, D. J.; Carroll, P. J.; Sneddon, L. G. J. Am Chem. Soc. 1996, 118, 11423-11433.
-
(1996)
J. Am Chem. Soc.
, vol.118
, pp. 11423-11433
-
-
Bausch, J.W.1
Matoka, D.J.2
Carroll, P.J.3
Sneddon, L.G.4
-
32
-
-
85088235720
-
-
note
-
4 have also been carried out. The II//MP2/6-31G* values [-9.6 (B1,2), -13.0 (B3.6)] are in excellent agreement with the experimental values.
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