-
1
-
-
33947094371
-
-
(a) Krogh-Jesperson, K.; Schleyer, P. v. R.; Pople, J. A.; Cremer, D. J. Am. Chem. Soc. 1978, 100, 4301.
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 4301
-
-
Krogh-Jesperson, K.1
Schleyer, P.V.R.2
Pople, J.A.3
Cremer, D.4
-
2
-
-
84986465534
-
-
(b) Chandrasekhar, J.; Schleyer, P. v. R.; Krogh-Jesperson, K. J. Comput. Chem. 1981, 2, 356.
-
(1981)
J. Comput. Chem.
, vol.2
, pp. 356
-
-
Chandrasekhar, J.1
Schleyer, P.V.R.2
Krogh-Jesperson, K.3
-
3
-
-
0001017938
-
-
(c) Hess, B. A., Jr.; Ewig, C. S.; Schaad, L. J. J. Org. Chem. 1985, 50, 5869.
-
(1985)
J. Org. Chem.
, vol.50
, pp. 5869
-
-
Hess Jr., B.A.1
Ewig, C.S.2
Schaad, L.J.3
-
4
-
-
0010762104
-
-
(a) Hückel, E. Z. Phys. 1931, 70, 204; 1931, 72, 310.
-
(1931)
Z. Phys.
, vol.70
, pp. 204
-
-
Hückel, E.1
-
5
-
-
3743091973
-
-
(a) Hückel, E. Z. Phys. 1931, 70, 204; 1931, 72, 310.
-
(1931)
Z. Phys.
, vol.72
, pp. 310
-
-
-
6
-
-
0001591055
-
-
(b) Olah, G. A.; Bollinger, J. M.; Whit, A. M. J. Am. Chem. Soc. 1969, 91, 3667.
-
(1969)
J. Am. Chem. Soc.
, vol.91
, pp. 3667
-
-
Olah, G.A.1
Bollinger, J.M.2
Whit, A.M.3
-
7
-
-
0343174671
-
-
(c) Pittman, C. U., Jr.; Kress, A.; Kispert, L. D. J. Org. Chem. 1974, 39, 378.
-
(1974)
J. Org. Chem.
, vol.39
, pp. 378
-
-
Pittman Jr., C.U.1
Kress, A.2
Kispert, L.D.3
-
10
-
-
0002569590
-
-
(f) Rosenstock, H. M.; Draxl, K.; Stiener, B. W.; Herron, J. T. J. Phys. Chem. Ref. Data, Suppl. 1977, 6.
-
(1977)
J. Phys. Chem. Ref. Data, Suppl.
, pp. 6
-
-
Rosenstock, H.M.1
Draxl, K.2
Stiener, B.W.3
Herron, J.T.4
-
13
-
-
0004258370
-
-
Rappoport, Z., Ed.; Wiley: New York, and references cited therein
-
(i) Friedrich, E. I. The Chemistry of the Cyclopropyl Group; Rappoport, Z., Ed.; Wiley: New York, 1987, and references cited therein.
-
(1987)
The Chemistry of the Cyclopropyl Group
-
-
Friedrich, E.I.1
-
17
-
-
33845556510
-
-
(a) Krogh-Jesperson, K.; Cremer, D.; Dill, J. D.; Pople, J. A.; Schleyer, P. v. R. J. Am. Chem. Soc. 1981, 103, 2589.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 2589
-
-
Krogh-Jesperson, K.1
Cremer, D.2
Dill, J.D.3
Pople, J.A.4
Schleyer, P.V.R.5
-
18
-
-
84985534973
-
-
(b) Schleyer, P. v. R.; Budzelaar, P. H. M.; Cremer, D.; Kraka, E. Angew. Chem. 1984, 23, 374.
-
(1984)
Angew. Chem.
, vol.23
, pp. 374
-
-
Schleyer, P.V.R.1
Budzelaar, P.H.M.2
Cremer, D.3
Kraka, E.4
-
19
-
-
0000745545
-
-
(c) Budzelaar, P. H. M.; Kraka, E.; Cremer, D.; Schleyer, P. v. R. J. Am. Chem. Soc. 1986, 108, 563.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 563
-
-
Budzelaar, P.H.M.1
Kraka, E.2
Cremer, D.3
Schleyer, P.V.R.4
-
20
-
-
84926452158
-
-
(a) van der Kerk, S. M.; Budzelaar, P. H. M.; van der Kerk-van Hoof, A.; van der Kerk, G. J. M.; Schleyer, P. v. R. Angew Chem., Int. Ed. Engl. 1983, 22, 48.
-
(1983)
Angew Chem., Int. Ed. Engl.
, vol.22
, pp. 48
-
-
Van Der Kerk, S.M.1
Budzelaar, P.H.M.2
Van Der Kerk-Van Hoof, A.3
Van Der Kerk, G.J.M.4
Schleyer, P.V.R.5
-
21
-
-
84985507211
-
-
(b) Hildenbrand, M.; Pritzkow, H.; Zenneck, U.; Siebert, W. Angew. Chem., Int. Ed. Engl. 1984, 23, 371.
-
(1984)
Angew. Chem., Int. Ed. Engl.
, vol.23
, pp. 371
-
-
Hildenbrand, M.1
Pritzkow, H.2
Zenneck, U.3
Siebert, W.4
-
22
-
-
84985609312
-
-
(c) Wehrmann, R.; Pues, C.; Klusik, H.; Berndt, A. Angew. Chem., Int. Ed. Engl. 1984, 23, 372.
-
(1984)
Angew. Chem., Int. Ed. Engl.
, vol.23
, pp. 372
-
-
Wehrmann, R.1
Pues, C.2
Klusik, H.3
Berndt, A.4
-
23
-
-
84943040086
-
-
(d) Hornbach, P.; Hildenbrand, M.; Pritzkow, H.; Siebert, W. Angew. Chem., Int. Ed. Engl. 1986, 25, 1112.
-
(1986)
Angew. Chem., Int. Ed. Engl.
, vol.25
, pp. 1112
-
-
Hornbach, P.1
Hildenbrand, M.2
Pritzkow, H.3
Siebert, W.4
-
24
-
-
4043061521
-
-
(e) Bromm, D.; Stalke, D.; Heine, A.; Meller, A.; Sheldrick, G. M. J. Organomet. Chem. 1990, 386, 1.
-
(1990)
J. Organomet. Chem.
, vol.386
, pp. 1
-
-
Bromm, D.1
Stalke, D.2
Heine, A.3
Meller, A.4
Sheldrick, G.M.5
-
25
-
-
0008582920
-
-
(f) Pilz, M.; Allwohn, J.; Bühl, M.; Schleyer, P. v. R.; Berndt, A. Z. Naturforsch. 1991, 46b, 1085.
-
(1991)
Z. Naturforsch.
, vol.46 B
, pp. 1085
-
-
Pilz, M.1
Allwohn, J.2
Bühl, M.3
Schleyer, P.V.R.4
Berndt, A.5
-
26
-
-
4043074247
-
-
(g) Irngartinger, H.; Hauck, J.; Siebert, W.; Hildenbrand, M. Z. Naturforsch. 1991, 46b, 1621.
-
(1991)
Z. Naturforsch.
, vol.46 B
, pp. 1621
-
-
Irngartinger, H.1
Hauck, J.2
Siebert, W.3
Hildenbrand, M.4
-
27
-
-
84990634510
-
-
(a) Korkin, A. A.; Glukhovtsev, M. N.; Schleyer, P. v. R. Int. J. Quantum. Chem. 1993, 46, 137.
-
(1993)
Int. J. Quantum. Chem.
, vol.46
, pp. 137
-
-
Korkin, A.A.1
Glukhovtsev, M.N.2
Schleyer, P.V.R.3
-
28
-
-
4043057303
-
-
Due to the anharmonic approximation, inclusion of the zero-point energy to the total energy reverses the stability order in this case as the potential energy surface is very shallow
-
(b) Due to the anharmonic approximation, inclusion of the zero-point energy to the total energy reverses the stability order in this case as the potential energy surface is very shallow.
-
-
-
-
29
-
-
84985566332
-
-
(a) Budzelaar, P. H. M.; Schleyer, P. v. R.; Krogh-Jesperson, K. Angew. Chem., Int. Ed. Engl. 1984, 23, 825.
-
(1984)
Angew. Chem., Int. Ed. Engl.
, vol.23
, pp. 825
-
-
Budzelaar, P.H.M.1
Schleyer, P.V.R.2
Krogh-Jesperson, K.3
-
30
-
-
0040737379
-
-
(b) Budzelaar, P. H. M.; Krogh-Jesperson, K.; Clark, T.; Schleyer, P. v. R. J. Am. Chem. Soc. 1985, 107, 2773.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 2773
-
-
Budzelaar, P.H.M.1
Krogh-Jesperson, K.2
Clark, T.3
Schleyer, P.V.R.4
-
31
-
-
84985535127
-
-
(a) Klusik, H.; Berndt, A. Angew Chem., Int. Ed. Engl. 1983, 22, 877.
-
(1983)
Angew Chem., Int. Ed. Engl.
, vol.22
, pp. 877
-
-
Klusik, H.1
Berndt, A.2
-
32
-
-
84985616473
-
-
(b) Pues, C.; Berndt, A. Angew Chem., Int. Ed. Engl. 1984, 23, 313.
-
(1984)
Angew Chem., Int. Ed. Engl.
, vol.23
, pp. 313
-
-
Pues, C.1
Berndt, A.2
-
33
-
-
0025240431
-
-
(c) Wieczorek, C.; Allwohn, J.; Schmidt-Lukasch, G.; Hunold, R.; Massa, W.; Berndt, A. Angew Chem., Int. Ed. Engl. 1990, 29, 398.
-
(1990)
Angew Chem., Int. Ed. Engl.
, vol.29
, pp. 398
-
-
Wieczorek, C.1
Allwohn, J.2
Schmidt-Lukasch, G.3
Hunold, R.4
Massa, W.5
Berndt, A.6
-
35
-
-
33748219206
-
-
(e) Steiner, D.; Balzereit, C.; Winkler, H.-J.; Stamatis, N.; Hofmann, M.; Schleyer, P. v. R.; Massa, W.; Berndt, A. Angew Chem., Int. Ed. Engl. 1994, 33, 2303.
-
(1994)
Angew Chem., Int. Ed. Engl.
, vol.33
, pp. 2303
-
-
Steiner, D.1
Balzereit, C.2
Winkler, H.-J.3
Stamatis, N.4
Hofmann, M.5
Schleyer, P.V.R.6
Massa, W.7
Berndt, A.8
-
36
-
-
33746276510
-
-
(a) Seyferth, D.; Büchner, K.; Rees, Jr.; Davis, W. M. Angew Chem., Int. Ed. Engl. 1990, 29, 918.
-
(1990)
Angew Chem., Int. Ed. Engl.
, vol.29
, pp. 918
-
-
Seyferth, D.1
Büchner, K.2
Rees, Jr.3
Davis, W.M.4
-
37
-
-
0001137293
-
-
(b) Seyferth, D.; Büchner, K.; Rees, Jr.; Wesemann, L.; Davis, W. M.; Bukalov, S. S.; Leites, L. A.; Bock, H.; Solonki, B. J. Am. Chem. Soc. 1993, 115, 3586, 11656.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 3586
-
-
Seyferth, D.1
Büchner, K.2
Rees, Jr.3
Wesemann, L.4
Davis, W.M.5
Bukalov, S.S.6
Leites, L.A.7
Bock, H.8
Solonki, B.9
-
38
-
-
33748241550
-
-
(c) Wesemann, L.; Englert, U.; Seyferth, D. Angew. Chem., Int. Ed. Engl. 1995, 34, 2236.
-
(1995)
Angew. Chem., Int. Ed. Engl.
, vol.34
, pp. 2236
-
-
Wesemann, L.1
Englert, U.2
Seyferth, D.3
-
40
-
-
33745378086
-
-
(e) Wesemann, L.; Englert, U. Angew Chem., Int. Ed. Engl. 1996, 35, 527.
-
(1996)
Angew Chem., Int. Ed. Engl.
, vol.35
, pp. 527
-
-
Wesemann, L.1
Englert, U.2
-
41
-
-
0041127201
-
-
(f) Dopke, J. A.; Bridges, A. N.; Schmidt, M. R.; Gaines, D. F. Inorg. Chem. 1996, 35, 7186.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 7186
-
-
Dopke, J.A.1
Bridges, A.N.2
Schmidt, M.R.3
Gaines, D.F.4
-
42
-
-
0011770054
-
-
Mains, G. J.; Bock, C. W.; Trachtman, M. J. Phys. Chem. 1989, 93, 1745.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 1745
-
-
Mains, G.J.1
Bock, C.W.2
Trachtman, M.3
-
44
-
-
0038254055
-
-
(b) Subramanian, G.; Jemmis, E. D.; Prasad, B. V. Chem. Phys. Lett. 1993, 217, 296.
-
(1993)
Chem. Phys. Lett.
, vol.217
, pp. 296
-
-
Subramanian, G.1
Jemmis, E.D.2
Prasad, B.V.3
-
45
-
-
0001147060
-
-
(a) Jemmis, E. D.; Prasad, B. V.; Tsuzuki, S.; Tanabe, K. J. Phys. Chem. 1990, 94, 5530.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5530
-
-
Jemmis, E.D.1
Prasad, B.V.2
Tsuzuki, S.3
Tanabe, K.4
-
46
-
-
0000425548
-
-
(b) Jemmis, E. D.; Prasad, B. V.; Prasad, P. V. A.; Tsuzuki, S.; Tanabe, K. Proc. Ind. Acad. Sci. 1990, 102, 107.
-
(1990)
Proc. Ind. Acad. Sci.
, vol.102
, pp. 107
-
-
Jemmis, E.D.1
Prasad, B.V.2
Prasad, P.V.A.3
Tsuzuki, S.4
Tanabe, K.5
-
47
-
-
0000821518
-
-
(a) Bogey, M.; Bolvin, H.; Demuynck, C.; Destombes, J. L. Phys. Rev. Lett. 1991, 66, 413.
-
(1991)
Phys. Rev. Lett.
, vol.66
, pp. 413
-
-
Bogey, M.1
Bolvin, H.2
Demuynck, C.3
Destombes, J.L.4
-
48
-
-
0001639111
-
-
(b) Bogey, M.; Bolvin, H.; Cordonnier, M.; Demuynck, C.; Destombes, J. L.; Császár, A. G. J. Chem. Phys. 1994, 100, 8614.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 8614
-
-
Bogey, M.1
Bolvin, H.2
Cordonnier, M.3
Demuynck, C.4
Destombes, J.L.5
Császár, A.G.6
-
49
-
-
0000419212
-
-
(a) Izuha, M.; Yamamoto, S.; Saito, S. Can. J. Phys. 1994, 72, 1206.
-
(1994)
Can. J. Phys.
, vol.72
, pp. 1206
-
-
Izuha, M.1
Yamamoto, S.2
Saito, S.3
-
50
-
-
0001509227
-
-
(b) Maier, G. Pacl, H.; Reisenauer, H. P.; Meudt, A.; Janoschek, R. J. Am. Chem. Soc. 1995, 117, 12712.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 12712
-
-
Maier, G.1
Pacl, H.2
Reisenauer, H.P.3
Meudt, A.4
Janoschek, R.5
-
51
-
-
0001600280
-
-
and references cited therein
-
Byun, Y.-G.; Saebo, S.; Pittman, C. U., Jr. J. Am. Chem. Soc. 1991, 113, 3689, and references cited therein.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 3689
-
-
Byun, Y.-G.1
Saebo, S.2
Pittman Jr., C.U.3
-
52
-
-
33845375231
-
-
(a) Luke, B. T.; Pople, J. A.; Krogh-Jesperson, M.-B.; Apeloig, Y.; Karni, M.; Chandrasekhar, J.; Schleyer, P. v. R. J. Am. Chem. Soc. 1986, 108, 270.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 270
-
-
Luke, B.T.1
Pople, J.A.2
Krogh-Jesperson, M.-B.3
Apeloig, Y.4
Karni, M.5
Chandrasekhar, J.6
Schleyer, P.V.R.7
-
53
-
-
0000429354
-
-
(b) Frenking, G.; Remington, R. B.; Schaefer, H. F., III. J. Am. Chem. Soc. 1986, 108, 2169.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 2169
-
-
Frenking, G.1
Remington, R.B.2
Schaefer III, H.F.3
-
57
-
-
0344759013
-
-
(e) Vacek, G.; Colegrove, T.; Schaefer, H. F., III, J. Am. Chem. Soc. 1991, 113, 3192.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 3192
-
-
Vacek, G.1
Colegrove, T.2
Schaefer III, H.F.3
-
60
-
-
36449005105
-
-
(a) Cordonnier, M.; Bogey, M.; Demuynck, C.; Destombes, J. L. J. Chem. Phys. 1992, 97, 7984.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7984
-
-
Cordonnier, M.1
Bogey, M.2
Demuynck, C.3
Destombes, J.L.4
-
61
-
-
0001616726
-
-
(b) Denk, M.; Lennon, R.; Hayashi, R.; West, R.; Beiyakov, A. V.; Verne, H. P.; Haaland, A.; Wagner, M.; Metzler, N. J. Am. Chem. Soc. 1994, 116, 2691.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 2691
-
-
Denk, M.1
Lennon, R.2
Hayashi, R.3
West, R.4
Beiyakov, A.V.5
Verne, H.P.6
Haaland, A.7
Wagner, M.8
Metzler, N.9
-
63
-
-
6944251055
-
-
fc stands for frozen core; that is, only valence electrons were considered in the correlation treatment
-
(a) Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618. fc stands for frozen core; that is, only valence electrons were considered in the correlation treatment.
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plesset, M.S.2
-
65
-
-
0345491105
-
-
(c) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
69
-
-
0004133516
-
-
Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. W.; Gill, P. M. W.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; 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. Gaussian 92/DFT; Gaussian Inc.: Pittsburgh, PA, 1993. 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, J. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. Y.; 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. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian Inc.: Pittsburgh, PA, 1995.
-
(1993)
Gaussian 92/DFT
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.W.3
Gill, P.M.W.4
Johnson, B.G.5
Wong, M.W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gordon, M.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..
-
70
-
-
0004133516
-
-
Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. W.; Gill, P. M. W.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; 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. Gaussian 92/DFT; Gaussian Inc.: Pittsburgh, PA, 1993. 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, J. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. Y.; 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. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian Inc.: Pittsburgh, PA, 1995.
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(1995)
Gaussian 94
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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, J.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.Y.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.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
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71
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0000170421
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(a) Schleyer, P. v. R.; Jiao, H.; Glukhovtsev, M.; Chandrasekhar, J.; Kraka, E. J. Am. Chem. Soc. 1994, 116, 10129.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10129
-
-
Schleyer, P.V.R.1
Jiao, H.2
Glukhovtsev, M.3
Chandrasekhar, J.4
Kraka, E.5
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72
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0030570305
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(b) The recommended scaling factor (0.9804) for Becke3LYP/6-31G* zero-point energy is close to unity. Wong, M. W. Chem. Phys. Lett. 1996, 256, 391.
-
(1996)
Chem. Phys. Lett.
, vol.256
, pp. 391
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-
Wong, M.W.1
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73
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4043087065
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The MP2(fc)/6-31G* geometries are comparable to the Becke3LYP/ 6-311+G** level and can be obtained from the authors upon request
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The MP2(fc)/6-31G* geometries are comparable to the Becke3LYP/ 6-311+G** level and can be obtained from the authors upon request.
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74
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36148995600
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(a) Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735
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Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
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78
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4043122584
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The puckering angle is calculated by subtracting the dihedral angle between the two planes of the four-membered ring from 180°
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The puckering angle is calculated by subtracting the dihedral angle between the two planes of the four-membered ring from 180°.
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81
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4043152151
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note
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2v) optimized at the Becke3LYP/6-311+G** level were taken from the Quantum Chemistry Archive: Computer Chemistry Center, Universität Erlangen, D-91052 Erlangen, Germany.
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83
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0000552462
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Also see ref 8
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Krogh-Jesperson, K.; Cremer, D.; Poppinger, D.; Pople, J. A.; Schleyer, P. v. R.; Chandrasekhar, J. J. Am. Chem. Soc. 1979, 101, 4843. Also see ref 8.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 4843
-
-
Krogh-Jesperson, K.1
Cremer, D.2
Poppinger, D.3
Pople, J.A.4
Schleyer, P.V.R.5
Chandrasekhar, J.6
-
84
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-
0040731598
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-
(a) Bigot, B.; Lequan, R. M.; Devaquet, A. Nouv. J. Chem. 1978, 2, 449.
-
(1978)
Nouv. J. Chem.
, vol.2
, pp. 449
-
-
Bigot, B.1
Lequan, R.M.2
Devaquet, A.3
-
85
-
-
84989582249
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-
(b) Jemmis, E. D.; Subramanian, G.; Srinivas, G. N. J. Am. Chem. Soc. 1992, 114, 7939.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 7939
-
-
Jemmis, E.D.1
Subramanian, G.2
Srinivas, G.N.3
-
86
-
-
0001316459
-
-
(c) Korkin, A. A.; Schleyer, P. v. R.; McKee, M. L. Inorg. Chem. 1995, 34, 961.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 961
-
-
Korkin, A.A.1
Schleyer, P.V.R.2
McKee, M.L.3
-
87
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-
0000902964
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(a) Sannigrahi, A. B.; Nandi, P. K.; Behera, L.; Kar, T. J. Mol. Struct. (THEOCHEM) 1992, 276, 259.
-
(1992)
J. Mol. Struct. (THEOCHEM)
, vol.276
, pp. 259
-
-
Sannigrahi, A.B.1
Nandi, P.K.2
Behera, L.3
Kar, T.4
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