-
1
-
-
33846354812
-
-
In memory of Professor Vadim A. Pestunovich, a bright scientist and a true friend
-
In memory of Professor Vadim A. Pestunovich, a bright scientist and a true friend.
-
-
-
-
4
-
-
33846384204
-
-
For a review of 2+2 cycloreversion of silacyclobutanes see: (a) Gusel'nikov, L. E.; Nametkin, N. S. In Advances in Organosilicon Chemistry; Voronkov, M. G., Ed.; Mir Publishers: Moscow, 1985, p 69.
-
For a review of 2+2 cycloreversion of silacyclobutanes see: (a) Gusel'nikov, L. E.; Nametkin, N. S. In Advances in Organosilicon Chemistry; Voronkov, M. G., Ed.; Mir Publishers: Moscow, 1985, p 69.
-
-
-
-
6
-
-
0038672364
-
-
pin, M. E, Ed
-
(a) Gusel'nikov, L. E.; Avakyan, V. G. Soviet Scientific Reviews, Section B, Chemistry Reviews; Vol'pin, M. E., Ed.; 1989; Vol. 13, p 39.
-
(1989)
Soviet Scientific Reviews, Section B, Chemistry Reviews
, vol.13
, pp. 39
-
-
Gusel'nikov, L.E.1
Avakyan, V.G.2
-
10
-
-
33845283002
-
-
Schmidt, M. W.; Truong, P. N.; Gordon, M. S. J. Am. Chem. Soc. 1987, 109, 5217.
-
(1987)
J. Am. Chem. Soc
, vol.109
, pp. 5217
-
-
Schmidt, M.W.1
Truong, P.N.2
Gordon, M.S.3
-
12
-
-
33846384889
-
-
In the third approach π-bond energy is taken as a barrier of hindered rotation about the double bond in H2Si=X, ref 5. Noteworthy, the latter method is not universal, because it cannot be applied to the molecules with Si=O or Si=S bonds
-
2Si=X, ref 5. Noteworthy, the latter method is not universal, because it cannot be applied to the molecules with Si=O or Si=S bonds.
-
-
-
-
13
-
-
33846369705
-
-
3, Cl, F) were also calculated through the enthalpy of cycloreversion of silacyclobutanes, ref 9.
-
3, Cl, F) were also calculated through the enthalpy of cycloreversion of silacyclobutanes, ref 9.
-
-
-
-
14
-
-
0037196284
-
-
Gusel'nikov, L. E.; Avakyan, V. G.; Guselnikov, S. L. J. Am. Chem. Soc. 2002, 124, 662.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 662
-
-
Gusel'nikov, L.E.1
Avakyan, V.G.2
Guselnikov, S.L.3
-
17
-
-
0034600910
-
-
(a) Galbraith, J. M.; Blank, E.; Shaik, S.; Hiberty, P. C. Chem.-Eur. J. 2000, 6, 2425.
-
(2000)
Chem.-Eur. J
, vol.6
, pp. 2425
-
-
Galbraith, J.M.1
Blank, E.2
Shaik, S.3
Hiberty, P.C.4
-
18
-
-
27344442748
-
-
(b) Shaik, S.; Danovich, D.; Silvi, B.; Lauvergnat, D. L.; Hiberty, P. C. Chem.-Eur. J. 2005, 11, 6358.
-
(2005)
Chem.-Eur. J
, vol.11
, pp. 6358
-
-
Shaik, S.1
Danovich, D.2
Silvi, B.3
Lauvergnat, D.L.4
Hiberty, P.C.5
-
19
-
-
0000403922
-
-
in Russian
-
Cherkasov, A. R.; Galkin, V. I.; Zueva, E. M.; Cherkasov, R. A. Usp. Khim. 1998, 67, 423 (in Russian).
-
(1998)
Usp. Khim
, vol.67
, pp. 423
-
-
Cherkasov, A.R.1
Galkin, V.I.2
Zueva, E.M.3
Cherkasov, R.A.4
-
20
-
-
0001797628
-
-
For a review on theoretical studies of doubly bonded silicon species see:, Patai, S, Rappoport, Z, Eds, John Wiley & Sons: New York, Chapter 2, p
-
For a review on theoretical studies of doubly bonded silicon species see: Apeloig, Y. In The Chemistry of Organic Silicon Compounds; Patai, S., Rappoport, Z., Eds.; John Wiley & Sons: New York, 1989; Chapter 2, p 57.
-
(1989)
The Chemistry of Organic Silicon Compounds
, pp. 57
-
-
Apeloig, Y.1
-
25
-
-
33846387013
-
-
See additional information and the literature on the ELF analysis at a legal part of the Internet web site of the Max Planck Institute for the Chemical Physics of Solids
-
(c) See additional information and the literature on the ELF analysis at a legal part of the Internet web site of the Max Planck Institute for the Chemical Physics of Solids (http:// www.cpfs.mpg.de/ELF/).
-
-
-
-
28
-
-
0142016322
-
-
Gusel'nikov, L. E.; Avakyan, V. G.; Guselnikov, S. L. Zh. Obshch. Khim. 2001, 71, 2040.
-
(2001)
Zh. Obshch. Khim
, vol.71
, pp. 2040
-
-
Gusel'nikov, L.E.1
Avakyan, V.G.2
Guselnikov, S.L.3
-
29
-
-
0142024989
-
-
Avakyan, V. G.; Gusel'nikov, L. E.; Guselnikov, S. L. J. Organomet. Chem. 2003, 686, 257.
-
(2003)
J. Organomet. Chem
, vol.686
, pp. 257
-
-
Avakyan, V.G.1
Gusel'nikov, L.E.2
Guselnikov, S.L.3
-
30
-
-
84962449159
-
-
Sidorkin, V. F.; Belogolova, E. F.; Pestunovich, V. A. Organometallics 2004, 23, 2389.
-
(2004)
Organometallics
, vol.23
, pp. 2389
-
-
Sidorkin, V.F.1
Belogolova, E.F.2
Pestunovich, V.A.3
-
31
-
-
0033057638
-
-
Gibbs, G. V.; Tamada, O.; Boisen, M. B., Jr.; Hill, F. G. Am. Mineral. 1999, 84, 435.
-
(1999)
Am. Mineral
, vol.84
, pp. 435
-
-
Gibbs, G.V.1
Tamada, O.2
Boisen Jr., M.B.3
Hill, F.G.4
-
32
-
-
33846354083
-
-
Frisch, M. J, Trucks, G. W. H, Schlegel, B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, Martin, R. L, Fox, D. J, Keith, T, Al-Laham, M. A, Peng, C. Y
-
Frisch, M. J.; Trucks, G. W. H.; Schlegel, B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, 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.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
-
-
-
35
-
-
84893169025
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347.
-
(1993)
J. Comput. Chem
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
36
-
-
0004176862
-
-
Universite Pierre et Marie Curie, France
-
(a) Noury, S.; Krokidis, X.; Fuster, F.; Silvi, B. TopMod package; Universite Pierre et Marie Curie, France, 1997.
-
(1997)
TopMod package
-
-
Noury, S.1
Krokidis, X.2
Fuster, F.3
Silvi, B.4
-
37
-
-
0000393496
-
-
(b) Noury, S.; Krokidis, X.; Fuster, F.; Silvi, B. Comput. Chem. 1999, 23, 597.
-
(1999)
Comput. Chem
, vol.23
, pp. 597
-
-
Noury, S.1
Krokidis, X.2
Fuster, F.3
Silvi, B.4
-
39
-
-
0031251820
-
-
(b) Bergman, D. L.; Laaksonen, L.; Laaksonen, A. J. Mol. Graphics Modell. 1997, 15, 301.
-
(1997)
J. Mol. Graphics Modell
, vol.15
, pp. 301
-
-
Bergman, D.L.1
Laaksonen, L.2
Laaksonen, A.3
-
40
-
-
33644534819
-
-
Sidorkin, V. F.; Belogolova, E. F.; Pestunovich, V. A. Chem.-Eur. J. 2006, 12, 2021.
-
(2006)
Chem.-Eur. J
, vol.12
, pp. 2021
-
-
Sidorkin, V.F.1
Belogolova, E.F.2
Pestunovich, V.A.3
-
41
-
-
0000000939
-
-
Bailliux, S.; Bogey, M.; Demaison, J.; Bürger, H.; Senzlober, M.; Breidung, J.; Thiel, W.; Fajgar, R.; Pola, J. J. Chem. Phys. 1997, 106, 10016.
-
(1997)
J. Chem. Phys
, vol.106
, pp. 10016
-
-
Bailliux, S.1
Bogey, M.2
Demaison, J.3
Bürger, H.4
Senzlober, M.5
Breidung, J.6
Thiel, W.7
Fajgar, R.8
Pola, J.9
-
42
-
-
0000849045
-
-
Bogey, M.; Delcroix, B.; Walters, A.; Guillemin, J.-C. J. Mol. Spectrosc. 1996, 175, 421.
-
(1996)
J. Mol. Spectrosc
, vol.175
, pp. 421
-
-
Bogey, M.1
Delcroix, B.2
Walters, A.3
Guillemin, J.-C.4
-
45
-
-
0000411401
-
-
Rappoport, Z, Apeloig, Y, Eds, John Wiley & Sons: New York, Chapter 4
-
(b) Becerra, R.; Walsh, R. In The Chemistry of Organic Silicon Compounds; Rappoport, Z., Apeloig, Y., Eds.; John Wiley & Sons: New York, 1998; Vol. 2, Chapter 4.
-
(1998)
The Chemistry of Organic Silicon Compounds
, vol.2
-
-
Becerra, R.1
Walsh, R.2
-
47
-
-
0000646160
-
-
Allendorf, M. D.; Melius, C. F.; Ho, P.; Zachariah, M. R. J. Phys. Chem. 1995, 99, 15285.
-
(1995)
J. Phys. Chem
, vol.99
, pp. 15285
-
-
Allendorf, M.D.1
Melius, C.F.2
Ho, P.3
Zachariah, M.R.4
-
50
-
-
0041689437
-
-
Berkowitz, J.; Ellison, G. B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744.
-
(1994)
J. Phys. Chem
, vol.98
, pp. 2744
-
-
Berkowitz, J.1
Ellison, G.B.2
Gutman, D.3
-
53
-
-
0032483738
-
-
(b) Suzuki, H.; Tokitoh, N.; Okazaki, R.; Nagase, S.; Goto, M. J. Am. Chem. Soc. 1998, 120, 11096.
-
(1998)
J. Am. Chem. Soc
, vol.120
, pp. 11096
-
-
Suzuki, H.1
Tokitoh, N.2
Okazaki, R.3
Nagase, S.4
Goto, M.5
-
55
-
-
33846372177
-
-
The BCP of the rank (3, -3) indicated that the doubtful non-nuclear attractor was found in disilene, in the center of the Si=Si bond when calculating at the MP2/6-31G(d,p) level of theory. However, the attractor disappears when using the HF/6-311++G(2d,p) basis set. Therefore, the latter was used in further AIM calculations.
-
The BCP of the rank (3, -3) indicated that the doubtful non-nuclear attractor was found in disilene, in the center of the Si=Si bond when calculating at the MP2/6-31G(d,p) level of theory. However, the attractor disappears when using the HF/6-311++G(2d,p) basis set. Therefore, the latter was used in further AIM calculations.
-
-
-
-
60
-
-
33846394287
-
-
ELF localization domains of disilene are similar to those calculated using teh Stuttgart quasirelativistic pseudopotential, ref 17
-
ELF localization domains of disilene are similar to those calculated using teh Stuttgart quasirelativistic pseudopotential, ref 17.
-
-
-
-
61
-
-
33846383275
-
-
The VB calculations of Shaik, Hiberty, et al. (ref 12a) suggested all the Si=E bonds to be neither covalent nor ionic but charge-shift bonds.
-
The VB calculations of Shaik, Hiberty, et al. (ref 12a) suggested all the Si=E bonds to be neither covalent nor ionic but charge-shift bonds.
-
-
-
|