-
5
-
-
25744434377
-
-
(e) Hassenrueck, K.; Martin, H. D.; Walsh, R. Chem. Rev. 1989, 89, 1125.
-
(1989)
Chem. Rev.
, vol.89
, pp. 1125
-
-
Hassenrueck, K.1
Martin, H.D.2
Walsh, R.3
-
10
-
-
0036216801
-
-
(j) Tsuji, T.; Ohkita, M.; Kawai, H. Bull. Chem. Soc. Jpn. 2002, 75, 415.
-
(2002)
Bull. Chem. Soc. Jpn.
, vol.75
, pp. 415
-
-
Tsuji, T.1
Ohkita, M.2
Kawai, H.3
-
11
-
-
0037013869
-
-
(k) Kock, R.; Weidenbruch, M. Angew. Chem., Int. Ed. 2002, 41, 1861.
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 1861
-
-
Kock, R.1
Weidenbruch, M.2
-
13
-
-
0344667717
-
-
(m) Gansauer, A.; Lauterbach, T.; Narayan, S. Angew. Chem., Int. Ed. 2003, 42, 5556.
-
(2003)
Angew. Chem., Int. Ed.
, vol.42
, pp. 5556
-
-
Gansauer, A.1
Lauterbach, T.2
Narayan, S.3
-
23
-
-
0041350528
-
-
(a) Wiberg, K. B.; Bader, R. W. F.; Lau, C. D. H. J. Am. Chem. Soc. 1987, 109, 985.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 985
-
-
Wiberg, K.B.1
Bader, R.W.F.2
Lau, C.D.H.3
-
24
-
-
33748657258
-
-
(b) Wiberg, K. B.; Bader, R. W. F.; Lau, C. D. H. J. Am. Chem. Soc. 1987, 109, 1001.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 1001
-
-
Wiberg, K.B.1
Bader, R.W.F.2
Lau, C.D.H.3
-
25
-
-
0001371507
-
-
(a) Zhao, C.-Y.; Zhang, Y.; You, X.-Z. J. Phys. Chem. A 1997, 101, 5174.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 5174
-
-
Zhao, C.-Y.1
Zhang, Y.2
You, X.-Z.3
-
26
-
-
0342748434
-
-
(b) Zhao, C.-Y.; Xiao, T.; Xu, X.-F.; You, X.-Z. Chem. J. Chin. Univ. 1996, 17, 769.
-
(1996)
Chem. J. Chin. Univ.
, vol.17
, pp. 769
-
-
Zhao, C.-Y.1
Xiao, T.2
Xu, X.-F.3
You, X.-Z.4
-
27
-
-
2142850799
-
-
(c) Zhao, C.-Y.; Qiu, W.-Y.; Xu, X.-F.; Zhang, C.-Y.; Fang, W.-H. You, X.-Z. Chem. J. Chin. Univ. 1995, 16, 1587.
-
(1995)
Chem. J. Chin. Univ.
, vol.16
, pp. 1587
-
-
Zhao, C.-Y.1
Qiu, W.-Y.2
Xu, X.-F.3
Zhang, C.-Y.4
Fang, W.-H.5
You, X.-Z.6
-
28
-
-
0142079176
-
-
(d) Zhao, C. Y.; Wang, Y. C.; Qiu, W. Y.; Wei, T. S. Chin. Sci. Bull. 1992, 37, 1529.
-
(1992)
Chin. Sci. Bull.
, vol.37
, pp. 1529
-
-
Zhao, C.Y.1
Wang, Y.C.2
Qiu, W.Y.3
Wei, T.S.4
-
30
-
-
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, J. A., Jr.; 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.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; 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.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
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.A.8
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
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
31
-
-
0012154673
-
-
(a) Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
-
(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
-
32
-
-
0001213712
-
-
(b) Curtiss, L. A.; Redfern, K. P. C.; Pople, J. A. J. Chem. Phys. 2000, 112, 7374.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 7374
-
-
Curtiss, L.A.1
Redfern, K.P.C.2
Pople, J.A.3
-
33
-
-
1142296589
-
-
(c) Ochterski, J. W.; Petersson, G. A.; Wiberg, K. B. J. Am. Chem. Soc. 1995, 117, 11299.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11299
-
-
Ochterski, J.W.1
Petersson, G.A.2
Wiberg, K.B.3
-
34
-
-
0038269037
-
-
(d) Ochterski, J. W.; Petersson, G. A.; Montgomery, J. A., Jr. J. Chem. Phys. 1996, 104, 2598.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2598
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery Jr., J.A.3
-
35
-
-
0000181879
-
-
The bond dissociation energy should be called a bond dissociation enthalpy, but the tradition for energy is strong. For reviews: (a) Egger, K. W. ; Cocks, A. T. Helv. Chim. Acta 1973, 56, 1516.
-
(1973)
Helv. Chim. Acta
, vol.56
, pp. 1516
-
-
Egger, K.W.1
Cocks, A.T.2
-
41
-
-
0031048782
-
-
Hare, M.; Emrick, T.; Eaton, P. E.; Kass, S. R. J. Am. Chem. Soc. 1997, 119, 237.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 237
-
-
Hare, M.1
Emrick, T.2
Eaton, P.E.3
Kass, S.R.4
-
42
-
-
0004097648
-
-
Theoretical Chemistry Institute, University of Wisconsin, Madison
-
Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO Version 3.1; Theoretical Chemistry Institute, University of Wisconsin, Madison.
-
NBO Version 3.1
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Weinhold, F.5
-
43
-
-
0035850379
-
-
Henry, D. J.; Parkinson, C. J.; Mayer, P. M.; Radom, L. J. Phys. Chem. A 2001, 105, 6750.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 6750
-
-
Henry, D.J.1
Parkinson, C.J.2
Mayer, P.M.3
Radom, L.4
-
45
-
-
0036757778
-
-
(b) Liu, L.; Cheng, Y.-H.; Fu, Y.; Chen, R.; Guo, Q.-X. J. Chem. Inf. Comput. Sci. 2002, 42, 1164.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 1164
-
-
Liu, L.1
Cheng, Y.-H.2
Fu, Y.3
Chen, R.4
Guo, Q.-X.5
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