-
5
-
-
36448965649
-
-
D. R. Herschbach, H. S. Johnston, K. S. Pitzer, and R. E. Powell, J. Chem. Phys. 25, 736 (1956).
-
(1956)
J. Chem. Phys.
, vol.25
, pp. 736
-
-
Herschbach, D.R.1
Johnston, H.S.2
Pitzer, K.S.3
Powell, R.E.4
-
7
-
-
0037666045
-
-
P. Vansteenkiste, V. Van Speybroeck, G. B. Marin, and M. Waroquier, J. Phys. Chem. A 107, 3139 (2003).
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 3139
-
-
Vansteenkiste, P.1
Van Speybroeck, V.2
Marin, G.B.3
Waroquier, M.4
-
8
-
-
12344300427
-
-
V. Van Speybroeck, P. Vansteenkiste, D. Van Neck, and M. Waroquier, Chem. Phys. Lett. 402, 479 (2005).
-
(2005)
Chem. Phys. Lett.
, vol.402
, pp. 479
-
-
Van Speybroeck, V.1
Vansteenkiste, P.2
Van Neck, D.3
Waroquier, M.4
-
9
-
-
18244364348
-
-
P. Vansteenkiste, V. Van Speybroeck, E. Pauwels, and M. Waroquier, Chem. Phys. 314, 109 (2005).
-
(2005)
Chem. Phys.
, vol.314
, pp. 109
-
-
Vansteenkiste, P.1
Van Speybroeck, V.2
Pauwels, E.3
Waroquier, M.4
-
13
-
-
31144448717
-
-
K. Van Cauter, V. Van Speybroeck, P. Vansteenkiste, M. F. Reyniers, and M. Waroquier, ChemPhysChem 7, 131 (2006).
-
(2006)
ChemPhysChem
, vol.7
, pp. 131
-
-
Van Cauter, K.1
Van Speybroeck, V.2
Vansteenkiste, P.3
Reyniers, M.F.4
Waroquier, M.5
-
15
-
-
0001128196
-
-
0009-2614 10.1016/0009-2614(95)00619-F
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(1995)
Chem. Phys. Lett.
, vol.240
, pp. 400
-
-
Carter, S.1
Pinnavaia, N.2
Handy, N.C.3
-
16
-
-
0001476751
-
-
0584-8539
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(1997)
Spectrochim. Acta, Part A
, vol.53
, pp. 1179
-
-
Carter, S.1
Bowman, J.M.2
Harding, L.B.3
-
17
-
-
0031380559
-
-
0021-9606 10.1063/1.474210
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 10458
-
-
Carter, S.1
Culik, S.J.2
Bowman, J.M.3
-
18
-
-
0000947511
-
-
0021-9606 10.1063/1.475852
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4397
-
-
Carter, S.1
Bowman, J.M.2
-
19
-
-
0032217993
-
-
1432-881X 10.1007/s002140050379
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(1998)
Theor. Chem. Acc.
, vol.100
, pp. 191
-
-
Carter, S.1
Bowman, J.M.2
Handy, N.C.3
-
20
-
-
0034224303
-
-
0021-9606 10.1063/1.481879
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 987
-
-
Carter, S.1
Handy, N.C.2
-
21
-
-
0035836319
-
-
0026-8976
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(2001)
Mol. Phys.
, vol.99
, pp. 393
-
-
Tew, D.P.1
Handy, N.C.2
Carter, S.3
-
22
-
-
0034919901
-
-
1463-9076 10.1039/b101631h
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 1958
-
-
Tew, D.P.1
Handy, N.C.2
Carter, S.3
-
23
-
-
1542363518
-
-
S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995); S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 0584-8539 53, 1179 (1997); S. Carter, S. J. Culik, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.474210 107, 10458 (1997); S. Carter and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.475852 108, 4397 (1998); S. Carter, J. M. Bowman, and N. C. Handy, Theor. Chem. Acc. 1432-881X 10.1007/s002140050379 100, 191 (1998); S. Carter and N. C. Handy, J. Chem. Phys. 0021-9606 10.1063/1.481879 113, 987 (2000); D. P. Tew, N. C. Handy, and S. Carter, Mol. Phys. 0026-8976 99, 393 (2001); D. P. Tew, N. C. Handy, and S. Carter, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b101631h 3, 1958 (2001); D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. M. Bowman, Mol. Phys. 101, 3513 (2003).
-
(2003)
Mol. Phys.
, vol.101
, pp. 3513
-
-
Tew, D.P.1
Handy, N.C.2
Carter, S.3
Irle, S.4
Bowman, J.M.5
-
24
-
-
0029022540
-
-
0036-8075
-
A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, Science 0036-8075 268, 1319 (1995); L. Norris, M. A. Ratner, A. Roitberg, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472922 105, 11261 (1996); J. O. Jung and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472960 105, 10332 (1996); A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, J. Phys. Chem. B 101, 1700 (1997).
-
(1995)
Science
, vol.268
, pp. 1319
-
-
Roitberg, A.1
Gerber, R.B.2
Elber, R.3
Ratner, M.A.4
-
25
-
-
0001605122
-
-
0021-9606 10.1063/1.472922
-
A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, Science 0036-8075 268, 1319 (1995); L. Norris, M. A. Ratner, A. Roitberg, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472922 105, 11261 (1996); J. O. Jung and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472960 105, 10332 (1996); A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, J. Phys. Chem. B 101, 1700 (1997).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 11261
-
-
Norris, L.1
Ratner, M.A.2
Roitberg, A.3
Gerber, R.B.4
-
26
-
-
0030393223
-
-
0021-9606 10.1063/1.472960
-
A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, Science 0036-8075 268, 1319 (1995); L. Norris, M. A. Ratner, A. Roitberg, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472922 105, 11261 (1996); J. O. Jung and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472960 105, 10332 (1996); A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, J. Phys. Chem. B 101, 1700 (1997).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 10332
-
-
Jung, J.O.1
Gerber, R.B.2
-
27
-
-
0031075748
-
-
A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, Science 0036-8075 268, 1319 (1995); L. Norris, M. A. Ratner, A. Roitberg, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472922 105, 11261 (1996); J. O. Jung and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472960 105, 10332 (1996); A. Roitberg, R. B. Gerber, R. Elber, and M. A. Ratner, J. Phys. Chem. B 101, 1700 (1997).
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 1700
-
-
Roitberg, A.1
Gerber, R.B.2
Elber, R.3
Ratner, M.A.4
-
29
-
-
0034310447
-
-
V. Van Speybroeck, D. Van Neck, M. Waroquier, S. Wauters, M. Saeys, and G. B. Marin, J. Phys. Chem. A 104, 10939 (2000).
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 10939
-
-
Van Speybroeck, V.1
Van Neck, D.2
Waroquier, M.3
Wauters, S.4
Saeys, M.5
Marin, G.B.6
-
30
-
-
0001592278
-
-
0024-9297
-
J. P. A. Heuts, R. G. Gilbert, and L. Radom, Macromolecules 0024-9297 28, 8771 (1995); J. P. A. Heuts, R. G. Gilbert, and L. Radom, J. Phys. Chem. 100, 18997 (1996).
-
(1995)
Macromolecules
, vol.28
, pp. 8771
-
-
Heuts, J.P.A.1
Gilbert, R.G.2
Radom, L.3
-
31
-
-
33748388297
-
-
J. P. A. Heuts, R. G. Gilbert, and L. Radom, Macromolecules 0024-9297 28, 8771 (1995); J. P. A. Heuts, R. G. Gilbert, and L. Radom, J. Phys. Chem. 100, 18997 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 18997
-
-
Heuts, J.P.A.1
Gilbert, R.G.2
Radom, L.3
-
32
-
-
31544431869
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
36
-
-
26844534384
-
-
R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
37
-
-
0030218597
-
-
0022-3654 10.1021/jp960669l
-
W. Kohn, A. D. Becke, and R. G. Parr, J. Phys. Chem. 0022-3654 10.1021/jp960669l 100, 12974 (1996); M. L. Coote, J. Phys. Chem. A 108, 3865 (2004).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 12974
-
-
Kohn, W.1
Becke, A.D.2
Parr, R.G.3
-
38
-
-
2442499671
-
-
W. Kohn, A. D. Becke, and R. G. Parr, J. Phys. Chem. 0022-3654 10.1021/jp960669l 100, 12974 (1996); M. L. Coote, J. Phys. Chem. A 108, 3865 (2004).
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 3865
-
-
Coote, M.L.1
-
41
-
-
84856122819
-
-
NIST Chemistry Webbook: http://webbook.nist.gov/chemistry/
-
-
-
|