-
2
-
-
0024622432
-
-
(b) Feher, F.J.; Newman, D.A.; Walzer, J.F. J. Am. Chem. Soc. 1989, 1111, 1741.
-
(1989)
J. Am. Chem. Soc.
, vol.1111
, pp. 1741
-
-
Feher, F.J.1
Newman, D.A.2
Walzer, J.F.3
-
3
-
-
1542583741
-
-
(c) Baney, R.H.; Itoh, M.; Sakakibara, A.; Suzuki, T. Chem. Rev. 1995, 95, 1409.
-
(1995)
Chem. Rev.
, vol.95
, pp. 1409
-
-
Baney, R.H.1
Itoh, M.2
Sakakibara, A.3
Suzuki, T.4
-
5
-
-
0000020407
-
-
As the recent paper, for example: (a) Duchateau, R.; Cremer, U.; Harmsen, R.J.; Mohamud, S.I.; Abbenhuis, H.C.L.; van Santen, R.A.; Meetsma, A.; Thiele, S.K.H.; van Tol, M.F.H.; Kranenburg, M. Organometallics 1999, 18, 5447.
-
(1999)
Organometallics
, vol.18
, pp. 5447
-
-
Duchateau, R.1
Cremer, U.2
Harmsen, R.J.3
Mohamud, S.I.4
Abbenhuis, H.C.L.5
Van Santen, R.A.6
Meetsma, A.7
Thiele, S.K.H.8
Van Tol, M.F.H.9
Kranenburg, M.10
-
6
-
-
0001307050
-
-
(b) Ducahateau, R.; van Santen, R.A.; Yap, G.P.A. Organometallics 2000, 19, 809.
-
(2000)
Organometallics
, vol.19
, pp. 809
-
-
Ducahateau, R.1
Van Santen, R.A.2
Yap, G.P.A.3
-
8
-
-
0035817661
-
-
(d) Skowronska-Ptasinska, M.D.; Duchateau, R.; van Santen, R.A.; Yap, G.P.A. Organometallics 2001, 20, 3519.
-
(2001)
Organometallics
, vol.20
, pp. 3519
-
-
Skowronska-Ptasinska, M.D.1
Duchateau, R.2
Van Santen, R.A.3
Yap, G.P.A.4
-
9
-
-
0002873993
-
-
(e) Lorenz, V.; Spoida, M.; Fischer, A.; Edelmann, F.T. J. Organomet. Chem. 2001, 625, 1.
-
(2001)
J. Organomet. Chem.
, vol.625
, pp. 1
-
-
Lorenz, V.1
Spoida, M.2
Fischer, A.3
Edelmann, F.T.4
-
10
-
-
0011947231
-
-
Journal the Society of Silicon Chemistry Japan
-
(f) Itoh, M. Keiso Kagaku Kyoukaishi 2001, 15, 19 (Journal the Society of Silicon Chemistry Japan).
-
(2001)
Keiso Kagaku Kyoukaishi
, vol.15
, pp. 19
-
-
Itoh, M.1
-
13
-
-
0542428710
-
-
(b) Ng, L.V.; Thompson, P.; Sanchez, J.; Macosko, C.W.; McCormick, A.V. Macromolecules 1995, 28, 6471.
-
(1995)
Macromolecules
, vol.28
, pp. 6471
-
-
Ng, L.V.1
Thompson, P.2
Sanchez, J.3
Macosko, C.W.4
McCormick, A.V.5
-
14
-
-
0031167301
-
-
(c) Kasehagen, L.J.; Rankin, S.E.; McCormick, A.V.; Macosko, C.W. Macromolecules 1997, 30, 3921.
-
(1997)
Macromolecules
, vol.30
, pp. 3921
-
-
Kasehagen, L.J.1
Rankin, S.E.2
McCormick, A.V.3
Macosko, C.W.4
-
15
-
-
0003301257
-
-
(d) Rankin, S.E.; Macosko, C.W.; McCormick, A.V. Chem. Mater. 1998, 10, 2037.
-
(1998)
Chem. Mater.
, vol.10
, pp. 2037
-
-
Rankin, S.E.1
Macosko, C.W.2
McCormick, A.V.3
-
16
-
-
0034300380
-
-
(e) Rankin, S.E.; Kasehagen, L.J.; McCormick, A.V.; Macosko, C.W. Macromolecules 2000, 33, 7639.
-
(2000)
Macromolecules
, vol.33
, pp. 7639
-
-
Rankin, S.E.1
Kasehagen, L.J.2
McCormick, A.V.3
Macosko, C.W.4
-
17
-
-
0035949920
-
-
(f) Matejka, L.; Dukh, O.; Hlavata, D.; Meissner, B.; Brus, J. Macromolecules 2001, 34, 6904.
-
(2001)
Macromolecules
, vol.34
, pp. 6904
-
-
Matejka, L.1
Dukh, O.2
Hlavata, D.3
Meissner, B.4
Brus, J.5
-
18
-
-
0035814420
-
-
(g) Kim, H.-J.; Lee, J.-K.; Kim, J.-B.; Park, E.S.; Park, S.-J.; Yoo, D.Y.; Yoon, D.Y. J. Am. Chem. Soc. 2001, 123, 12121.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 12121
-
-
Kim, H.-J.1
Lee, J.-K.2
Kim, J.-B.3
Park, E.S.4
Park, S.-J.5
Yoo, D.Y.6
Yoon, D.Y.7
-
21
-
-
0347170005
-
-
(a) Hehre, W.J.; Ditchfield, R.; Pople, J.A. J. Phys. Chem. 1972, 56, 2257.
-
(1972)
J. Phys. Chem.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
22
-
-
33645949559
-
-
(b) Francl, M.M.; Pietro, W.J.; Hehre, W.J.; Binkley, J.S.; Gordon, M.S.; Defrees. D.J.; Pople, J.A. J. Chem. Phys. 1982, 77, 3654.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 3654
-
-
Francl, M.M.1
Pietro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
Defrees, D.J.6
Pople, J.A.7
-
23
-
-
84986468715
-
-
(c) Clark, T.; Chandrasekhar, J.; Spitznagel, G.W.; Schleyer, P. v. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
24
-
-
0011946412
-
-
Diplomarbeit, Erlangen, 1982
-
(d) Spitznagel, G.W.; Diplomarbeit, Erlangen, 1982.
-
-
-
Spitznagel, G.W.1
-
25
-
-
36549091139
-
-
(e) Frisch, M.J.; Pople, J.A.; Binkley, J.S. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
26
-
-
0001239563
-
-
and references therein
-
(f) Okuno, Y.J.; Chem. Phys. 1996, 105, 5817 and references therein.
-
(1996)
Chem. Phys.
, vol.105
, pp. 5817
-
-
Okuno, Y.J.1
-
27
-
-
0002362917
-
-
Pople, J.A.; Seeger, R.; Krishnann, R. Int. J. Quantum Chem. 1979, S11, 149.
-
(1979)
Int. J. Quantum Chem.
, vol.S11
, pp. 149
-
-
Pople, J.A.1
Seeger, R.2
Krishnann, R.3
-
28
-
-
0000649832
-
-
Krishnann, R.; Frisch, M.J.; Pople, J.A. J. Chem. Phys. 1980, 72, 4244.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 4244
-
-
Krishnann, R.1
Frisch, M.J.2
Pople, J.A.3
-
29
-
-
0000138517
-
-
(a) Day, P.N.; Jensen, J.H.; Gordon, M.S.; Webb, S.P.; Stevens W.J.; Krauss, M.; Garmer, D.; Basch, H.; Cohen, D. J. Chem. Phys. 1996, 105, 1968.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1968
-
-
Day, P.N.1
Jensen, J.H.2
Gordon, M.S.3
Webb, S.P.4
Stevens, W.J.5
Krauss, M.6
Garmer, D.7
Basch, H.8
Cohen, D.9
-
35
-
-
0035138053
-
-
(g) Gordon, M.S.; Freitag, M.A.; Bandyopadhyay, P.; Jensen, J.H.; Kairys, V.; Stevens, W.J. J. Phys. Chem. A 2001, 105, 293.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 293
-
-
Gordon, M.S.1
Freitag, M.A.2
Bandyopadhyay, P.3
Jensen, J.H.4
Kairys, V.5
Stevens, W.J.6
-
36
-
-
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., Jr. 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., Jr.13
-
37
-
-
0001128874
-
-
In an attempt to locate lower energy arrangements of the EFP waters, Monte Carlo calculations with simulated annealing [Day, P.N.; Pachter, R.; Gordon, M.S.; Merrill, G.N. J. Chem. Phys. 2000, 112, 2063] have been performed using the HF/3-21G* method and a temperature range from 2000-100 K. No structures lower in energy than type I were found.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 2063
-
-
Day, P.N.1
Pachter, R.2
Gordon, M.S.3
Merrill, G.N.4
-
38
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0011984082
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note
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The transition state was found to lie lower in energy than the reactants by 9.6 kcal/mol at the HF/6-31G* level.
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40
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0011975513
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note
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Note that the energy barrier for the first step decreases to 5.0 kcal/mol upon t-Bu substitution at the same level of theory.
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