-
2
-
-
1842270910
-
-
JCPSA6 0021-9606 10.1063/1.450058.
-
T. Carrington and W. H. Miller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.450058 84, 4364 (1986).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4364
-
-
Carrington, T.1
Miller, W.H.2
-
3
-
-
1142281124
-
-
MOPHAM 0026-8976 10.1080/00268970310001622535.
-
R. Meyer and T.-K. Ha, Mol. Phys. MOPHAM 0026-8976 10.1080/ 00268970310001622535 101, 3263 (2003).
-
(2003)
Mol. Phys.
, vol.101
, pp. 3263
-
-
Meyer, R.1
Ha, T.-K.2
-
4
-
-
33749311351
-
-
JCPSA6 0021-9606 10.1063/1.445323.
-
B. C. Garrett, D. G. Truhlar, A. F. Wagner, and T. H. Dunning, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445323 78, 4400 (1983).
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4400
-
-
Garrett, B.C.1
Truhlar, D.G.2
Wagner, A.F.3
Dunning, T.H.4
-
5
-
-
33749311086
-
-
JCPSA6 0021-9606 10.1063/1.445586.
-
B. C. Garrett and D. G. Truhlar, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445586 79, 4931 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 4931
-
-
Garrett, B.C.1
Truhlar, D.G.2
-
10
-
-
1542363518
-
-
MOPHAM 0026-8976 10.1080/0026897042000178079.
-
D. P. Tew, N. C. Handy, S. Carter, S. Irle, and J. Bowman, Mol. Phys. MOPHAM 0026-8976 10.1080/0026897042000178079 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.5
-
11
-
-
33748281535
-
-
JCPSA6 0021-9606 10.1063/1.2338891.
-
D. P. Tew, N. C. Handy, and S. Carter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2338891 125, 084313 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 084313
-
-
Tew, D.P.1
Handy, N.C.2
Carter, S.3
-
12
-
-
0001476751
-
-
SAMCAS 0584-8539 10.1016/S1386-1425(97)00010-3.
-
S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A SAMCAS 0584-8539 10.1016/S1386-1425(97)00010-3 53, 1179 (1997).
-
(1997)
Spectrochim. Acta, Part A
, vol.53
, pp. 1179
-
-
Carter, S.1
Bowman, J.M.2
Harding, L.B.3
-
14
-
-
23944519750
-
-
JCPSA6 0021-9606 10.1063/1.1978869.
-
K. Giese and O. Kühn, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1978869 123, 054315 (2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 054315
-
-
Giese, K.1
Kühn, O.2
-
15
-
-
33745493768
-
-
PRPLCM 0370-1573 10.1016/j.physre2006.04.005.
-
K. Giese, M. Petković, H. Naundorf, and O. Kühn, Phys. Rep. PRPLCM 0370-1573 10.1016/j.physrep.2006.04.005 430, 211 (2006).
-
(2006)
Phys. Rep.
, vol.430
, pp. 211
-
-
Giese, K.1
Petković, M.2
Naundorf, H.3
Kühn, O.4
-
16
-
-
33846190567
-
-
JCPSA6 0021-9606 10.1063/1.468526.
-
S. Takada and H. Nakamura, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.468526 102, 3977 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 3977
-
-
Takada, S.1
Nakamura, H.2
-
19
-
-
84995189342
-
-
IJQCB2 0020-7608 10.1002/qua.560030105.
-
J. O. Hirschfelder, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.560030105 3, 17 (1969).
-
(1969)
Int. J. Quantum Chem.
, vol.3
, pp. 17
-
-
Hirschfelder, J.O.1
-
20
-
-
0001641629
-
-
JCPSA6 0021-9606 10.1063/1.1730598.
-
F. T. Smith, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1730598 31, 1352 (1959).
-
(1959)
J. Chem. Phys.
, vol.31
, pp. 1352
-
-
Smith, F.T.1
-
21
-
-
33845280985
-
-
JACSAT 0002-7863 10.1021/ja00258a001.
-
Y. Chang, Y. Yamaguchi, W. H. Miller, and H. F. Schaefer III, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00258a001 109, 7245 (1987).
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 7245
-
-
Chang, Y.1
Yamaguchi, Y.2
Miller, W.H.3
Iii, F.S.H.4
-
22
-
-
0000461834
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(01)01248-9.
-
M. V. Vener, O. Kühn, and J. M. Bowman, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(01)01248-9 349, 562 (2001).
-
(2001)
Chem. Phys. Lett.
, vol.349
, pp. 562
-
-
Vener, M.V.1
Kühn, O.2
Bowman, J.M.3
-
23
-
-
0037109574
-
-
JCPSA6 0021-9606 10.1063/1.1507581.
-
F. Madeja and M. Havenith, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1507581 117, 7162 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 7162
-
-
Madeja, F.1
Havenith, M.2
-
27
-
-
33645693830
-
-
JPCAFH 1089-5639 10.1021/jp054558a.
-
D. Luckhaus, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp054558a 110, 3151 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 3151
-
-
Luckhaus, D.1
-
30
-
-
40149097769
-
-
GAUSSIAN03, Revision B.04, Gaussian Inc., Wallingfort, CT.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN03, Revision B.04, Gaussian Inc., Wallingfort, CT, 2004.
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
33
-
-
0004465903
-
-
JPCHAX 0022-3654 10.1021/j100717a029.
-
K. Fukui, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100717a029 74, 4161 (1970).
-
(1970)
J. Phys. Chem.
, vol.74
, pp. 4161
-
-
Fukui, K.1
-
34
-
-
0037205061
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(02)00636-X.
-
D. Babić, S. D. Bosanac, and N. Došlić, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(02)00636-X 358, 337 (2002).
-
(2002)
Chem. Phys. Lett.
, vol.358
, pp. 337
-
-
Babić, D.1
Bosanac, S.D.2
Došlić, N.3
-
36
-
-
0141459153
-
-
JPCAFH 1089-5639 10.1021/jp034440z.
-
J. Stare and G. G. Balint-Kurt, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp034440z 107, 7204 (2003).
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 7204
-
-
Stare, J.1
Balint-Kurt, G.G.2
-
37
-
-
40149086702
-
-
Matrix Computations (The Johns Hopkins University Press, Baltimore, MD).
-
G. H. Golub and C. F. V. Loan, Matrix Computations (The Johns Hopkins University Press, Baltimore, MD, 1985).
-
(1985)
-
-
Golub, G.H.1
Loan, C.F.V.2
-
38
-
-
40149103481
-
-
Tutorial: Implicitly Restarted Arnoldi/Lanczos Methods for Large Scale Eigenvalue Calculations (Rice University, Houston, TX).
-
D. Sorensen, Tutorial: Implicitly Restarted Arnoldi/Lanczos Methods for Large Scale Eigenvalue Calculations (Rice University, Houston, TX, 1995).
-
(1995)
-
-
Sorensen, D.1
-
39
-
-
40149086088
-
-
ARPACK User's Guide: Solution of Large Scale Eigenvalue Problems With Implicitly Restarted Arnoldi Methods (Rice University, Houston, TX).
-
R. B. Lehoucq, D. Sorensen, and C. D. Yang, ARPACK User's Guide: Solution of Large Scale Eigenvalue Problems With Implicitly Restarted Arnoldi Methods (Rice University, Houston, TX, 1997).
-
(1997)
-
-
Lehoucq, R.B.1
Sorensen, D.2
Yang, C.D.3
-
41
-
-
0037460292
-
-
JCPSA6 0021-9606 10.1063/1.1530573.
-
G. M. Florio, T. S. Zwier, E. M. Myshakin, K. D. Jordan, and E. L. Sibert III, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1530573 118, 1735 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 1735
-
-
Florio, G.M.1
Zwier, T.S.2
Myshakin, E.M.3
Jordan, K.D.4
Iii, L.S.E.5
-
42
-
-
18844393703
-
-
JCPSA6 0021-9606 10.1063/1.1891727.
-
J. Dreyer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1891727 122, 184306 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 184306
-
-
Dreyer, J.1
-
43
-
-
34547668635
-
-
JCPSA6 0021-9606 10.1063/1.2759213.
-
J. Dreyer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2759213 127, 054309 (2007).
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 054309
-
-
Dreyer, J.1
-
44
-
-
19944390954
-
-
JPCAFH 1089-5639 10.1021/jp044695s.
-
I. Matanović and N. Došlić, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp044695s 109, 4185 (2005).
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 4185
-
-
Matanović, I.1
Došlić, N.2
-
45
-
-
36549100248
-
-
JCPSA6 0021-9606 10.1063/1.451737.
-
J. E. Bertie, K. H. Michaelian, H. H. Eysel, and D. Hager, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451737 85, 4779 (1986).
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 4779
-
-
Bertie, J.E.1
Michaelian, K.H.2
Eysel, H.H.3
Hager, D.4
-
49
-
-
34547237125
-
-
JCPSA6 0021-9606 10.1063/1.2183306.
-
C. D. Griffin, R. Acevedo, D. W. Massey, J. L. Kinsey, and B. R. Johnson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2183306 124, 134105 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 134105
-
-
Griffin, C.D.1
Acevedo, R.2
Massey, D.W.3
Kinsey, J.L.4
Johnson, B.R.5
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