-
1
-
-
0000862670
-
-
Chem. Rev. 1999, 99(5), 1067-1480.
-
(1999)
Chem. Rev.
, vol.99
, Issue.5
, pp. 1067-1480
-
-
-
16
-
-
0035955841
-
-
Mehta G., Singh S.R., Gagliardini V., Priyakumar U.D., Sastry G.N. Tetrahedron Lett. 42:2001;8527-8530.
-
(2001)
Tetrahedron Lett.
, vol.42
, pp. 8527-8530
-
-
Mehta, G.1
Singh, S.R.2
Gagliardini, V.3
Priyakumar, U.D.4
Sastry, G.N.5
-
19
-
-
37049070573
-
-
Mehta G., Khan F.A., Ganguly B., Chandrasekhar J. J. Chem. Soc., Chem. Commun. 1992;1711-1712.
-
(1992)
J. Chem. Soc., Chem. Commun.
, pp. 1711-1712
-
-
Mehta, G.1
Khan, F.A.2
Ganguly, B.3
Chandrasekhar, J.4
-
22
-
-
33748632413
-
-
Mehta G., Ravikrishna C., Kalyanaraman P., Chandrasekhar J. J. Chem. Soc., Perkin Trans. 1. 1998;1895-1897.
-
(1998)
J. Chem. Soc., Perkin Trans. 1
, pp. 1895-1897
-
-
Mehta, G.1
Ravikrishna, C.2
Kalyanaraman, P.3
Chandrasekhar, J.4
-
25
-
-
0002636017
-
-
Mehta G., Khan F.A., Mohal N., Namboothiri I.N.N., Kalyanaraman P., Chandrasekhar J. J. Chem. Soc., Perkin Trans. 1. 1996;2665-2667.
-
(1996)
J. Chem. Soc., Perkin Trans. 1
, pp. 2665-2667
-
-
Mehta, G.1
Khan, F.A.2
Mohal, N.3
Namboothiri, I.N.N.4
Kalyanaraman, P.5
Chandrasekhar, J.6
-
26
-
-
37049086626
-
-
Mehta G., Khan F.A., Ganguly B., Chandrasekhar J. J. Chem. Soc., Perkin Trans. 2. 1994;2275-2277.
-
(1994)
J. Chem. Soc., Perkin Trans. 2
, pp. 2275-2277
-
-
Mehta, G.1
Khan, F.A.2
Ganguly, B.3
Chandrasekhar, J.4
-
36
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, Jr., J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Rega, N.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C. ; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.11.2; Gaussian, Inc.: Pittsburgh PA, 2001.
-
(2001)
Gaussian 98, Revision A.11.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr. J. A8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Rega, N.30
Salvador, P.31
Dannenberg, J.J.32
Malick, D.K.33
Rabuck, A.D.34
Raghavachari, K.35
Foresman, J.B.36
Cioslowski, J.37
Ortiz, J.V.38
Baboul, A.G.39
Stefanov, B.B.40
Liu, G.41
Liashenko, A.42
Piskorz, P.43
Komaromi, I.44
Gomperts, R.45
Martin, R.L.46
Fox, D.J.47
Keith, T.48
Al-Laham, M.A.49
Peng, C.Y.50
Nanayakkara, A.51
Challacombe, M.52
Gill, P.M.W.53
Johnson, B.54
Chen, W.55
Wong, M.W.56
Andres, J.L.57
Gonzalez, C.58
Head-Gordon, M.59
Replogle, E.S.60
Pople, J.A.61
more..
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1642270480
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Charge model calculations with a point charge of -0.5 at the B3LYP level, yielded results identical to that of unit negative charge
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Charge model calculations with a point charge of -0.5 at the B3LYP level, yielded results identical to that of unit negative charge.
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1642351711
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NBO analyses were also performed on the hydride model transition states at the B3LYP level so that the interaction between the antibonding σ-orbital of the incipient C-H bond and the antiperiplanar bonding orbital from syn and anti sides could be compared
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NBO analyses were also performed on the hydride model transition states at the B3LYP level so that the interaction between the antibonding σ-orbital of the incipient C-H bond and the antiperiplanar bonding orbital from syn and anti sides could be compared.
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