-
2
-
-
0003396304
-
-
in, edited by P. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (John Wiley & Sons, New York).
-
T. Carrington, Jr., in Encyclopedia of Computational Chemistry, edited by, P. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (John Wiley & Sons, New York, 1998).
-
(1998)
Encyclopedia of Computational Chemistry
-
-
Carrington Jr., T.1
-
3
-
-
0003770193
-
-
edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York).
-
Dynamics of Molecules and Chemical Reactions, edited by, R. E. Wyatt, and, J. Z. H. Zhang, (Marcel Dekker, New York, 1996).
-
(1996)
Dynamics of Molecules and Chemical Reactions
-
-
-
5
-
-
0032577085
-
-
0009-2614 10.1016/S0009-2614(98)00274-7.
-
K. Bolton, W. L. Hase, H. B. Schlegel, and K. Song, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)00274-7 288, 621 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.288
, pp. 621
-
-
Bolton, K.1
Hase, W.L.2
Schlegel, H.B.3
Song, K.4
-
8
-
-
0030575687
-
-
0021-9606 10.1063/1.472713.
-
E. Kauppi, J. Chem. Phys. 0021-9606 10.1063/1.472713 105, 7986 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 7986
-
-
Kauppi, E.1
-
10
-
-
0000011501
-
-
0021-9606 10.1063/1.480833.
-
N. J. Wright and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.480833 112, 2598 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 2598
-
-
Wright, N.J.1
Gerber, R.B.2
-
11
-
-
0000677365
-
-
0034-6861 10.1103/RevModPhys.61.669.
-
G. C. Schatz, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.61.669 61, 669 (1989).
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 669
-
-
Schatz, G.C.1
-
12
-
-
4143054706
-
-
0009-2665 10.1021/cr00077a011.
-
D. G. Truhlar, R. Steckler, and M. S. Gordon, Chem. Rev. (Washington, D.C.) 0009-2665 10.1021/cr00077a011 87, 217 (1987).
-
(1987)
Chem. Rev. (Washington, D.C.)
, vol.87
, pp. 217
-
-
Truhlar, D.G.1
Steckler, R.2
Gordon, M.S.3
-
13
-
-
0036882785
-
-
1432-881X 10.1007/s00214-002-0383-5.
-
M. A. Collins, Theor. Chem. Acc. 1432-881X 10.1007/s00214-002-0383-5 108, 313 (2002).
-
(2002)
Theor. Chem. Acc.
, vol.108
, pp. 313
-
-
Collins, M.A.1
-
15
-
-
0002032071
-
-
0301-0104 10.1016/0301-0104(83)87010-4.
-
S. Chapman, M. Dupuis, and S. Green, Chem. Phys. 0301-0104 10.1016/0301-0104(83)87010-4 78, 93 (1983).
-
(1983)
Chem. Phys.
, vol.78
, pp. 93
-
-
Chapman, S.1
Dupuis, M.2
Green, S.3
-
16
-
-
0345529866
-
-
0021-9606 10.1063/1.1617271.
-
G. G. Maisuradze, D. L. Thompson, A. F. Wagner, and M. Minkoff, J. Chem. Phys. 0021-9606 10.1063/1.1617271 119, 10002 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 10002
-
-
Maisuradze, G.G.1
Thompson, D.L.2
Wagner, A.F.3
Minkoff, M.4
-
17
-
-
4944240292
-
-
0021-9606 10.1063/1.1777572.
-
Y. Guo, A. Kawano, D. L. Thompson, A. F. Wagner, and M. Minkoff, J. Chem. Phys. 0021-9606 10.1063/1.1777572 121, 5091 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 5091
-
-
Guo, Y.1
Kawano, A.2
Thompson, D.L.3
Wagner, A.F.4
Minkoff, M.5
-
19
-
-
0142116247
-
-
0021-9606 10.1063/1.1603219.
-
T. -S. Ho and H. Rabitz, J. Chem. Phys. 0021-9606 10.1063/1.1603219 119, 6433 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 6433
-
-
Ho, T.-S.1
Rabitz, H.2
-
20
-
-
0030570029
-
-
0009-2614 10.1016/S0009-2614(96)00150-9.
-
A. M. Frishman, D. K. Hoffman, R. J. Rakauskas, and D. J. Kouri, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(96)00150-9 252, 62 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.252
, pp. 62
-
-
Frishman, A.M.1
Hoffman, D.K.2
Rakauskas, R.J.3
Kouri, D.J.4
-
23
-
-
0000133015
-
-
0021-9606 10.1063/1.480257.
-
V. Szalay, J. Chem. Phys. 0021-9606 10.1063/1.480257 111, 8804 (1999).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 8804
-
-
Szalay, V.1
-
24
-
-
22944464406
-
-
0021-9606 10.1063/1.1850458.
-
L. M. Raff, M. Malshe, M. T. Hagan, D. I. Doughan, M. G. Rockey, and R. Komanduri, J. Chem. Phys. 0021-9606 10.1063/1.1850458 122, 084104 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 084104
-
-
Raff, L.M.1
Malshe, M.2
Hagan, M.T.3
Doughan, D.I.4
Rockey, M.G.5
Komanduri, R.6
-
26
-
-
0012032724
-
-
1089-5639 10.1021/jp972209d.
-
H. Gassner, M. Probst, A. Lauenstein, and K. Hermansson, J. Phys. Chem. A 1089-5639 10.1021/jp972209d 102, 4596 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 4596
-
-
Gassner, H.1
Probst, M.2
Lauenstein, A.3
Hermansson, K.4
-
30
-
-
19644389243
-
-
0021-9606 10.1063/1.469597.
-
T. S. Blank, S. D. Brown, A. W. Calhoun, and D. J. Doren, J. Chem. Phys. 0021-9606 10.1063/1.469597 103, 4129 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4129
-
-
Blank, T.S.1
Brown, S.D.2
Calhoun, A.W.3
Doren, D.J.4
-
31
-
-
0141947503
-
-
0009-2614 10.1016/0009-2614(92)85498-Y.
-
B. G. Sumpter and D. W. Noid, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85498-Y 192, 455 (1992).
-
(1992)
Chem. Phys. Lett.
, vol.192
, pp. 455
-
-
Sumpter, B.G.1
Noid, D.W.2
-
32
-
-
33646420352
-
-
1089-5639 10.1021/jp055253z.
-
S. Manzhos, X. -G. Wang, R. Dawes, and T. Carrington, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp055253z 110, 5295 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 5295
-
-
Manzhos, S.1
Wang, X.-G.2
Dawes, R.3
Carrington Jr., T.4
-
35
-
-
45149125082
-
-
0021-9606 10.1063/1.2937732.
-
Y. Wang, B. J. Braams, J. M. Bowman, S. Carter, and D. Tew, J. Chem. Phys. 0021-9606 10.1063/1.2937732 128, 224314 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 224314
-
-
Wang, Y.1
Braams, B.J.2
Bowman, J.M.3
Carter, S.4
Tew, D.5
-
36
-
-
0032558945
-
-
0021-9606 10.1063/1.476513.
-
R. Marquardt and M. Quack, J. Chem. Phys. 0021-9606 10.1063/1.476513 109, 10628 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10628
-
-
Marquardt, R.1
Quack, M.2
-
37
-
-
40149094650
-
-
0021-9606 10.1063/1.2831790.
-
R. Dawes, D. L. Thompson, A. F. Wagner, and M. Minkoff, J. Chem. Phys. 0021-9606 10.1063/1.2831790 128, 084107 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 084107
-
-
Dawes, R.1
Thompson, D.L.2
Wagner, A.F.3
Minkoff, M.4
-
39
-
-
0003754177
-
-
(Wiley, Toronto).
-
J. N. Murrell, S. Carter, S. Frantos, P. Huxley, and A. J. C. Varandas, Molecular Potential Energy Functions (Wiley, Toronto, 1984).
-
(1984)
Molecular Potential Energy Functions
-
-
Murrell, J.N.1
Carter, S.2
Frantos, S.3
Huxley, P.4
Varandas, A.J.C.5
-
40
-
-
0001557769
-
-
0021-9606 10.1063/1.479534.
-
B. Kuhn, T. R. Rizzo, D. Luckhaus, M. Quack, and M. A. Suhm, J. Chem. Phys. 0021-9606 10.1063/1.479534 111, 2565 (1999).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2565
-
-
Kuhn, B.1
Rizzo, T.R.2
Luckhaus, D.3
Quack, M.4
Suhm, M.A.5
-
41
-
-
4243143157
-
-
0066-426X 10.1146/annurev.pc.41.100190.004203.
-
M. Quack, Annu. Rev. Phys. Chem. 0066-426X 10.1146/annurev.pc.41.100190. 004203 41, 839 (1990).
-
(1990)
Annu. Rev. Phys. Chem.
, vol.41
, pp. 839
-
-
Quack, M.1
-
42
-
-
78751483165
-
-
0009-2614 10.1016/0009-2614(80)85193-1.
-
G. C. Schatz and H. Elgersma, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(80)85193-1 73, 21 (1980).
-
(1980)
Chem. Phys. Lett.
, vol.73
, pp. 21
-
-
Schatz, G.C.1
Elgersma, H.2
-
43
-
-
36449006688
-
-
0021-9606 10.1063/1.461486.
-
M. Quack and M. A. Suhm, J. Chem. Phys. 0021-9606 10.1063/1.461486 95, 28 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 28
-
-
Quack, M.1
Suhm, M.A.2
-
44
-
-
4644231843
-
-
0021-9606 10.1063/1.1775767.
-
A. Brown, A. B. McCoy, B. J. Braams, Z. Jin, and J. M. Bowman, J. Chem. Phys. 0021-9606 10.1063/1.1775767 121, 4105 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 4105
-
-
Brown, A.1
McCoy, A.B.2
Braams, B.J.3
Jin, Z.4
Bowman, J.M.5
-
48
-
-
34948907442
-
-
0021-9606 10.1063/1.2768948.
-
M. Malshe, L. M. Raff, M. G. Rockey, M. T. Hagan, P. A. Agrawal, and R. Komanduri, J. Chem. Phys. 0021-9606 10.1063/1.2768948 127, 134105 (2007).
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 134105
-
-
Malshe, M.1
Raff, L.M.2
Rockey, M.G.3
Hagan, M.T.4
Agrawal, P.A.5
Komanduri, R.6
-
49
-
-
0011596225
-
-
0022-3654 10.1021/j150665a016.
-
J. N. Murrell and S. Carter, J. Phys. Chem. 0022-3654 10.1021/j150665a016 88, 4887 (1984).
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 4887
-
-
Murrell, J.N.1
Carter, S.2
-
51
-
-
0034704914
-
-
1089-5639 10.1021/jp991723b.
-
S. Carter and J. M. Bowman, J. Phys. Chem. A 1089-5639 10.1021/jp991723b 104, 2355 (2000).
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 2355
-
-
Carter, S.1
Bowman, J.M.2
-
52
-
-
0037165154
-
-
0009-2614 10.1016/S0009-2614(01)01381-1.
-
S. Carter and N. C. Handy, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)01381-1 352, 1 (2002).
-
(2002)
Chem. Phys. Lett.
, vol.352
, pp. 1
-
-
Carter, S.1
Handy, N.C.2
-
53
-
-
10844259735
-
-
0021-9606 10.1063/1.1804174.
-
G. Rauhut, J. Chem. Phys. 0021-9606 10.1063/1.1804174 121, 9313 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 9313
-
-
Rauhut, G.1
-
54
-
-
33846071032
-
-
0021-9606 10.1063/1.2423006.
-
D. M. Benoit, J. Chem. Phys. 0021-9606 10.1063/1.2423006 125, 244110 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 244110
-
-
Benoit, D.M.1
-
55
-
-
0035371036
-
-
0301-0104 10.1016/S0301-0104(01)00214-2.
-
J. M. Geremia, E. Weiss, and H. Rabitz, Chem. Phys. 0301-0104 10.1016/S0301-0104(01)00214-2 267, 209 (2001).
-
(2001)
Chem. Phys.
, vol.267
, pp. 209
-
-
Geremia, J.M.1
Weiss, E.2
Rabitz, H.3
-
56
-
-
0035890778
-
-
0021-9606 10.1063/1.1402997.
-
J. M. Geremia and H. Rabitz, J. Chem. Phys. 0021-9606 10.1063/1.1402997 115, 8899 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 8899
-
-
Geremia, J.M.1
Rabitz, H.2
-
59
-
-
0035638871
-
-
0259-9791 10.1023/A:1010979129659.
-
O. F. Alis and H. Rabitz, J. Math. Chem. 0259-9791 10.1023/A: 1010979129659 29, 127 (2001).
-
(2001)
J. Math. Chem.
, vol.29
, pp. 127
-
-
Alis, O.F.1
Rabitz, H.2
-
60
-
-
0033098910
-
-
0010-4655 10.1016/S0010-4655(98)00152-0.
-
H. Rabitz, O. F. Alis, J. Shorter, and K. Shim, Comput. Phys. Commun. 0010-4655 10.1016/S0010-4655(98)00152-0 117, 11 (1999).
-
(1999)
Comput. Phys. Commun.
, vol.117
, pp. 11
-
-
Rabitz, H.1
Alis, O.F.2
Shorter, J.3
Shim, K.4
-
62
-
-
0033241715
-
-
0259-9791 10.1023/A:1019188517934.
-
H. Rabitz and O. F. Alis, J. Math. Chem. 0259-9791 10.1023/A: 1019188517934 25, 197 (1999).
-
(1999)
J. Math. Chem.
, vol.25
, pp. 197
-
-
Rabitz, H.1
Alis, O.F.2
-
63
-
-
0035435462
-
-
1050-2947 10.1103/PhysRevA.64.022710.
-
J. M. Geremia and H. Rabitz, Phys. Rev. A 1050-2947 10.1103/PhysRevA.64. 022710 64, 022710 (2001).
-
(2001)
Phys. Rev. A
, vol.64
, pp. 022710
-
-
Geremia, J.M.1
Rabitz, H.2
-
65
-
-
0035568525
-
-
0259-9791 10.1023/A:1013172329778.
-
G. Li, S. -W. Wang, C. Rosenthal, and H. Rabitz, J. Math. Chem. 0259-9791 10.1023/A:1013172329778 30, 1 (2001).
-
(2001)
J. Math. Chem.
, vol.30
, pp. 1
-
-
Li, G.1
Wang, S.-W.2
Rosenthal, C.3
Rabitz, H.4
-
66
-
-
0037447145
-
-
0192-8651 10.1002/jcc.10232.
-
G. Li, M. Artamonov, H. Rabitz, S. -W. Wang, P. G. Georgopoulos, and M. Demiralp, J. Comput. Chem. 0192-8651 10.1002/jcc.10232 24, 647 (2003).
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 647
-
-
Li, G.1
Artamonov, M.2
Rabitz, H.3
Wang, S.-W.4
Georgopoulos, P.G.5
Demiralp, M.6
-
67
-
-
2942614996
-
-
0192-8651 10.1002/jcc.20040.
-
G. Li, J. Schoendorf, T. -S. Ho, and H. Rabitz, J. Comput. Chem. 0192-8651 10.1002/jcc.20040 25, 1149 (2004).
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1149
-
-
Li, G.1
Schoendorf, J.2
Ho, T.-S.3
Rabitz, H.4
-
69
-
-
33644918017
-
-
1089-5639 10.1021/jp054148m.
-
G. Li, J. Hu, S. -W. Wang, P. G. Georgopoulos, J. Schoendorf, and H. Rabitz, J. Phys. Chem. A 1089-5639 10.1021/jp054148m 110, 2474 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 2474
-
-
Li, G.1
Hu, J.2
Wang, S.-W.3
Georgopoulos, P.G.4
Schoendorf, J.5
Rabitz, H.6
-
70
-
-
0038682122
-
-
1089-5639 10.1021/jp022500f.
-
S. -W. Wang, P. G. Georgopoulos, G. Li, and H. Rabitz, J. Phys. Chem. A 1089-5639 10.1021/jp022500f 107, 4707 (2003).
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4707
-
-
Wang, S.-W.1
Georgopoulos, P.G.2
Li, G.3
Rabitz, H.4
-
71
-
-
55849127668
-
-
0370-1573 10.1016/S0370-1573(99)00047-2.
-
M. H. Beck, A. Jaeckle, G. A. Worth, and H. -D. Meyer, Phys. Rep. 0370-1573 10.1016/S0370-1573(99)00047-2 324, 1 (2000).
-
(2000)
Phys. Rep.
, vol.324
, pp. 1
-
-
Beck, M.H.1
Jaeckle, A.2
Worth, G.A.3
Meyer, H.-D.4
-
72
-
-
0001476751
-
-
0584-8539 10.1016/S1386-1425(97)00010-3.
-
S. Carter, J. M. Bowman, and L. B. Harding, Spectrochim. Acta, Part A 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
-
76
-
-
36148984241
-
-
0021-9606 10.1063/1.2787588.
-
O. Vendrell, F. Gatti, D. Lauvergnat, and H. -D. Meyer, J. Chem. Phys. 0021-9606 10.1063/1.2787588 127, 184302 (2007).
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 184302
-
-
Vendrell, O.1
Gatti, F.2
Lauvergnat, D.3
Meyer, H.-D.4
-
77
-
-
0030393223
-
-
0021-9606 10.1063/1.472960.
-
J. O. Jung and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.472960 105, 10332 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 10332
-
-
Jung, J.O.1
Gerber, R.B.2
-
80
-
-
0025488663
-
-
0018-9219 10.1109/5.58323.
-
B. Widrow and M. A. Lehr, Proc. IEEE 0018-9219 10.1109/5.58323 78, 1415 (1990).
-
(1990)
Proc. IEEE
, vol.78
, pp. 1415
-
-
Widrow, B.1
Lehr, M.A.2
-
83
-
-
0025732436
-
-
0003-2670 10.1016/S0003-2670(00)80865-X.
-
J. Zupan and J. Gasteiger, Anal. Chim. Acta 0003-2670 10.1016/S0003-2670(00)80865-X 248, 1 (1991).
-
(1991)
Anal. Chim. Acta
, vol.248
, pp. 1
-
-
Zupan, J.1
Gasteiger, J.2
-
85
-
-
57649144224
-
-
SPSS Neural Networks 17.0, (c) SPSS Inc.
-
SPSS Neural Networks 17.0, 2007 (c) SPSS Inc.
-
(2007)
-
-
-
87
-
-
84984299789
-
-
0886-9383 10.1002/cem.1180080605.
-
T. S. Blank and S. D. Brown, J. Chemom. 0886-9383 10.1002/cem.1180080605 8, 391 (1994).
-
(1994)
J. Chemom.
, vol.8
, pp. 391
-
-
Blank, T.S.1
Brown, S.D.2
-
88
-
-
57649190617
-
-
MATLAB [7.0R14], MathWorks, Inc.
-
MATLAB [7.0R14], 2004, MathWorks, Inc.
-
(2004)
-
-
-
90
-
-
32044442293
-
-
0021-9606 10.1063/1.2162170.
-
D. I. Doughan, L. M. Raff, M. G. Rockey, M. T. Hagan, P. A. Agrawal, and R. Komanduri, J. Chem. Phys. 0021-9606 10.1063/1.2162170 124, 054321 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 054321
-
-
Doughan, D.I.1
Raff, L.M.2
Rockey, M.G.3
Hagan, M.T.4
Agrawal, P.A.5
Komanduri, R.6
-
91
-
-
1842558910
-
-
0301-0104 10.1016/j.chemphys.2004.01.007.
-
P. Carbonniere, D. Begue, A. Dargelos, and C. Pouchan, Chem. Phys. 0301-0104 10.1016/j.chemphys.2004.01.007 300, 41 (2004).
-
(2004)
Chem. Phys.
, vol.300
, pp. 41
-
-
Carbonniere, P.1
Begue, D.2
Dargelos, A.3
Pouchan, C.4
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