-
1
-
-
4243775469
-
-
For a recent review of the state of the art, see the special issue Spectrochim. Acta A, 58 (2002).
-
(2002)
Spectrochim. Acta A
, vol.58
-
-
-
2
-
-
0002315798
-
-
edited by P. von Ragué-Schleyer (New York: Wiley)
-
CARRINGTON, T. JR, 1998, in Encyclopedia of Computational Chemistry, Vol. 5, edited by P. von Ragué-Schleyer (New York: Wiley), pp. 3157-3166.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.5
, pp. 3157-3166
-
-
Carrington T., Jr.1
-
3
-
-
0000229685
-
-
LIGHT, J. C., and CARRINGTON, T. JR, 2000, Adv. Chem. Phys., 114, 263.
-
(2000)
Adv. Chem. Phys.
, vol.114
, pp. 263
-
-
Light, J.C.1
Carrington T., Jr.2
-
4
-
-
2542553937
-
-
(a) CARTER, S., and HANDY, N. C., 1988, Comput. Phys. Commun., 51, 49;
-
(1988)
Comput. Phys. Commun.
, vol.51
, pp. 49
-
-
Carter, S.1
Handy, N.C.2
-
5
-
-
0001765826
-
-
(b) BRAMLEY, M. J., and HANDY, N. C., 1993, J. Chem. Phys., 98, 1378.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1378
-
-
Bramley, M.J.1
Handy, N.C.2
-
7
-
-
0034817973
-
-
LEFORESTIER, C., VIEL, A., GATTI, F., MUNIZ, C., and IUNG, C., 2001, J. Chem. Phys., 114, 2099.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 2099
-
-
Leforestier, C.1
Viel, A.2
Gatti, F.3
Muniz, C.4
Iung, C.5
-
8
-
-
0037073151
-
-
(a) XU, D., LI, G., XIE, D., and GUO, H., 2002, Chem. Phys. Lett., 365, 480;
-
(2002)
Chem. Phys. Lett.
, vol.365
, pp. 480
-
-
Xu, D.1
Li, G.2
Xie, D.3
Guo, H.4
-
10
-
-
0037109591
-
-
WANG, X.-G., and CARRINGTON, T. JR, 2002, J. Chem. Phys., 117, 6923.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 6923
-
-
Wang, X.-G.1
Carrington T., Jr.2
-
12
-
-
0037159098
-
-
(a) ZOU, S., and BOWMAN, J. M., 2002, J. Chem. Phys., 117, 5507;
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 5507
-
-
Zou, S.1
Bowman, J.M.2
-
14
-
-
0031380559
-
-
(a) CARTER, S., CULIK, S. J., and BOWMAN, J. M., 1997, J. Chem. Phys., 107, 10458;
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(1997)
J. Chem. Phys.
, vol.107
, pp. 10458
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Carter, S.1
Culik, S.J.2
Bowman, J.M.3
-
15
-
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0001476751
-
-
(b) CARTER, S., BOWMAN, J. M., and HARDING, L. B., 1997, Spectrochim. Acta A, 53, 1179;
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(1997)
Spectrochim. Acta A
, vol.53
, pp. 1179
-
-
Carter, S.1
Bowman, J.M.2
Harding, L.B.3
-
16
-
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0000947511
-
-
(c) CARTER, S., and BOWMAN, J. M., 1998, J. Chem. Phys., 108, 4397;
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4397
-
-
Carter, S.1
Bowman, J.M.2
-
17
-
-
0042210730
-
-
(d) DZEGILENKO, F., BOWMAN, J. M., and CARTER, S., 1998, J. Chem. Phys., 109, 7509;
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(1998)
J. Chem. Phys.
, vol.109
, pp. 7509
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-
Dzegilenko, F.1
Bowman, J.M.2
Carter, S.3
-
18
-
-
0032217993
-
-
(e) CARTER, S., BOWMAN, J. M., and HANDY, N., 1998, Theor. Chem. Acc., 100, 191;
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(1998)
Theor. Chem. Acc.
, vol.100
, pp. 191
-
-
Carter, S.1
Bowman, J.M.2
Handy, N.3
-
19
-
-
0000909514
-
-
(f) BOWMAN, J. M., and SHNIDER, H., 1999, J. Chem. Phys., 110, 4428;
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4428
-
-
Bowman, J.M.1
Shnider, H.2
-
20
-
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-
-
(g) BOWMAN, J. M., CHRISTOFFEL, K., and WEINBERG, G., 1999, Theochem, 461, 71;
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(1999)
Theochem
, vol.461
, pp. 71
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-
Bowman, J.M.1
Christoffel, K.2
Weinberg, G.3
-
21
-
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-
-
(h) CHRISTOFFEL, K., and BOWMAN, J. M., 1999, J. Phys. Chem. A, 103, 3020;
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3020
-
-
Christoffel, K.1
Bowman, J.M.2
-
22
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-
MULTIMODE website
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(i) MULTIMODE website, http://www.emory.edu/CHEMISTRY/faculty/bowman/multimode/.
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23
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0029022540
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Some selected papers are (a) ROITBERG, A., GERBER, R. B., ELBER, R., and RATNER, M. A., 1995, Science, 268, 1319; (b) NORRIS, L., RATNER, M. A., ROITBERG, A. E., and GERBER, R. B., 1996, J. Chem. Phys., 105, 11261; (c) JUNG, J.-O., and GERBER, R. B., 1996, J. Chem. Phys., 105, 10682; (d) WRIGHT, N. J., GERBER, R. B., 2000, J. Chem. Phys., 112, 2598; (e) WRIGHT, N. J., and GERBER, R. B., 2001, J. Chem. Phys., 114, 8763; (f) CHABAN, G. M., and GERBER, R. B., 2002, Spectrochim. Acta A, 58, 887; (g) CHABAN, G. M., and GERBER, R. B., 2001, J. Chem. Phys., 115, 1340.
-
(1995)
Science
, vol.268
, pp. 1319
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Roitberg, A.1
Gerber, R.B.2
Elber, R.3
Ratner, M.A.4
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24
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0001605122
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Some selected papers are (a) ROITBERG, A., GERBER, R. B., ELBER, R., and RATNER, M. A., 1995, Science, 268, 1319; (b) NORRIS, L., RATNER, M. A., ROITBERG, A. E., and GERBER, R. B., 1996, J. Chem. Phys., 105, 11261; (c) JUNG, J.-O., and GERBER, R. B., 1996, J. Chem. Phys., 105, 10682; (d) WRIGHT, N. J., GERBER, R. B., 2000, J. Chem. Phys., 112, 2598; (e) WRIGHT, N. J., and GERBER, R. B., 2001, J. Chem. Phys., 114, 8763; (f) CHABAN, G. M., and GERBER, R. B., 2002, Spectrochim. Acta A, 58, 887; (g) CHABAN, G. M., and GERBER, R. B., 2001, J. Chem. Phys., 115, 1340.
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(1996)
J. Chem. Phys.
, vol.105
, pp. 11261
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-
Norris, L.1
Ratner, M.A.2
Roitberg, A.E.3
Gerber, R.B.4
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25
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0030378502
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Some selected papers are (a) ROITBERG, A., GERBER, R. B., ELBER, R., and RATNER, M. A., 1995, Science, 268, 1319; (b) NORRIS, L., RATNER, M. A., ROITBERG, A. E., and GERBER, R. B., 1996, J. Chem. Phys., 105, 11261; (c) JUNG, J.-O., and GERBER, R. B., 1996, J. Chem. Phys., 105, 10682; (d) WRIGHT, N. J., GERBER, R. B., 2000, J. Chem. Phys., 112, 2598; (e) WRIGHT, N. J., and GERBER, R. B., 2001, J. Chem. Phys., 114, 8763; (f) CHABAN, G. M., and GERBER, R. B., 2002, Spectrochim. Acta A, 58, 887; (g) CHABAN, G. M., and GERBER, R. B., 2001, J. Chem. Phys., 115, 1340.
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(1996)
J. Chem. Phys.
, vol.105
, pp. 10682
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-
Jung, J.-O.1
Gerber, R.B.2
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26
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0000011501
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Some selected papers are (a) ROITBERG, A., GERBER, R. B., ELBER, R., and RATNER, M. A., 1995, Science, 268, 1319; (b) NORRIS, L., RATNER, M. A., ROITBERG, A. E., and GERBER, R. B., 1996, J. Chem. Phys., 105, 11261; (c) JUNG, J.-O., and GERBER, R. B., 1996, J. Chem. Phys., 105, 10682; (d) WRIGHT, N. J., GERBER, R. B., 2000, J. Chem. Phys., 112, 2598; (e) WRIGHT, N. J., and GERBER, R. B., 2001, J. Chem. Phys., 114, 8763; (f) CHABAN, G. M., and GERBER, R. B., 2002, Spectrochim. Acta A, 58, 887; (g) CHABAN, G. M., and GERBER, R. B., 2001, J. Chem. Phys., 115, 1340.
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(2000)
J. Chem. Phys.
, vol.112
, pp. 2598
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-
Wright, N.J.1
Gerber, R.B.2
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27
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0035932841
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Some selected papers are (a) ROITBERG, A., GERBER, R. B., ELBER, R., and RATNER, M. A., 1995, Science, 268, 1319; (b) NORRIS, L., RATNER, M. A., ROITBERG, A. E., and GERBER, R. B., 1996, J. Chem. Phys., 105, 11261; (c) JUNG, J.-O., and GERBER, R. B., 1996, J. Chem. Phys., 105, 10682; (d) WRIGHT, N. J., GERBER, R. B., 2000, J. Chem. Phys., 112, 2598; (e) WRIGHT, N. J., and GERBER, R. B., 2001, J. Chem. Phys., 114, 8763; (f) CHABAN, G. M., and GERBER, R. B., 2002, Spectrochim. Acta A, 58, 887; (g) CHABAN, G. M., and GERBER, R. B., 2001, J. Chem. Phys., 115, 1340.
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(2001)
J. Chem. Phys.
, vol.114
, pp. 8763
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Wright, N.J.1
Gerber, R.B.2
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28
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0036008174
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Some selected papers are (a) ROITBERG, A., GERBER, R. B., ELBER, R., and RATNER, M. A., 1995, Science, 268, 1319; (b) NORRIS, L., RATNER, M. A., ROITBERG, A. E., and GERBER, R. B., 1996, J. Chem. Phys., 105, 11261; (c) JUNG, J.-O., and GERBER, R. B., 1996, J. Chem. Phys., 105, 10682; (d) WRIGHT, N. J., GERBER, R. B., 2000, J. Chem. Phys., 112, 2598; (e) WRIGHT, N. J., and GERBER, R. B., 2001, J. Chem. Phys., 114, 8763; (f) CHABAN, G. M., and GERBER, R. B., 2002, Spectrochim. Acta A, 58, 887; (g) CHABAN, G. M., and GERBER, R. B., 2001, J. Chem. Phys., 115, 1340.
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(2002)
Spectrochim. Acta A
, vol.58
, pp. 887
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-
Chaban, G.M.1
Gerber, R.B.2
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29
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0035878766
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Some selected papers are (a) ROITBERG, A., GERBER, R. B., ELBER, R., and RATNER, M. A., 1995, Science, 268, 1319; (b) NORRIS, L., RATNER, M. A., ROITBERG, A. E., and GERBER, R. B., 1996, J. Chem. Phys., 105, 11261; (c) JUNG, J.-O., and GERBER, R. B., 1996, J. Chem. Phys., 105, 10682; (d) WRIGHT, N. J., GERBER, R. B., 2000, J. Chem. Phys., 112, 2598; (e) WRIGHT, N. J., and GERBER, R. B., 2001, J. Chem. Phys., 114, 8763; (f) CHABAN, G. M., and GERBER, R. B., 2002, Spectrochim. Acta A, 58, 887; (g) CHABAN, G. M., and GERBER, R. B., 2001, J. Chem. Phys., 115, 1340.
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(2001)
J. Chem. Phys.
, vol.115
, pp. 1340
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-
Chaban, G.M.1
Gerber, R.B.2
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31
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36549092509
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ROMANOWSKI, H., BOWMAN, J. M., and HARDING, L., 1985, J. Chem. Phys., 82, 4155.
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(1985)
J. Chem. Phys.
, vol.82
, pp. 4155
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Romanowski, H.1
Bowman, J.M.2
Harding, L.3
-
32
-
-
36549097926
-
-
DUNN, K. M., BOGGS, J. E., and PULAY, P., 1985, J. Chem. Phys., 85, 5838.
-
(1985)
J. Chem. Phys.
, vol.85
, pp. 5838
-
-
Dunn, K.M.1
Boggs, J.E.2
Pulay, P.3
-
33
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0002385077
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edited by J. M. Bowman and M. A. Ratner (Greenwich: JAI)
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GAW, J. F., et al, 1991, in Advances in Molecular Vibrations and Collision Dynamics, Vol. Ib, edited by J. M. Bowman and M. A. Ratner (Greenwich: JAI), pp. 169-185.
-
(1991)
Advances in Molecular Vibrations and Collision Dynamics
, vol.1 B
, pp. 169-185
-
-
Gaw, J.F.1
-
35
-
-
0043212949
-
-
JELSKI, D. A., HALEY, R. H., and BOWMAN, J. M., 1996, J. Comput. Chem., 17, 1654.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 1654
-
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Jelski, D.A.1
Haley, R.H.2
Bowman, J.M.3
-
37
-
-
0001731833
-
-
For reviews, see (a) BOWMAN, J. M., 1986, Acc. Chem. Res., 19, 202; (b) RATNER, M. A., and GERBER, R. B., 1986, J. Phys. Chem., 90, 20.
-
(1986)
Acc. Chem. Res.
, vol.19
, pp. 202
-
-
Bowman, J.M.1
-
38
-
-
33845375177
-
-
For reviews, see (a) BOWMAN, J. M., 1986, Acc. Chem. Res., 19, 202; (b) RATNER, M. A., and GERBER, R. B., 1986, J. Phys. Chem., 90, 20.
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 20
-
-
Ratner, M.A.1
Gerber, R.B.2
-
39
-
-
0344951107
-
-
HUANG, X., CARTER, S., and BOWMAN, J. M., 2003, J. Chem. Phys., 118, 5431.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 5431
-
-
Huang, X.1
Carter, S.2
Bowman, J.M.3
-
40
-
-
0001275024
-
-
CARTER, S., BOWMAN, J. M., and BRAAMS, B. J., 2001, Chem. Phys. Lett., 342, 636.
-
(2001)
Chem. Phys. Lett.
, vol.342
, pp. 636
-
-
Carter, S.1
Bowman, J.M.2
Braams, B.J.3
-
41
-
-
0034324576
-
-
IRLE, S., and BOWMAN, J. M., 2000, J. Chem. Phys., 113, 8401.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 8401
-
-
Irle, S.1
Bowman, J.M.2
-
42
-
-
0035932689
-
-
ZOU, S., SKOKOV, S., and BOWMAN, J. M., 2001, J. Phys. Chem. A, 105, 2423.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2423
-
-
Zou, S.1
Skokov, S.2
Bowman, J.M.3
-
43
-
-
0042210728
-
-
submitted
-
HUANG, X., CHO, H.-M., CARTER, S., OJAMÄE, L., BOWMAN, J. M., and SINGER, S. J., J. Phys. Chem. (submitted).
-
J. Phys. Chem.
-
-
Huang, X.1
Cho, H.-M.2
Carter, S.3
Ojamäe, L.4
Bowman, J.M.5
Singer, S.J.6
-
44
-
-
0001486706
-
-
CARTER, S., SHNIDER, H. M., and BOWMAN, J. M., 1999, J. Chem. Phys., 110, 8417.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 8417
-
-
Carter, S.1
Shnider, H.M.2
Bowman, J.M.3
-
45
-
-
0000509196
-
-
CARTER, S., and BOWMAN, J. M., 2000, J. Phys. Chem., 104, 2443.
-
(2000)
J. Phys. Chem.
, vol.104
, pp. 2443
-
-
Carter, S.1
Bowman, J.M.2
-
46
-
-
0036008163
-
-
LEONARD, C., HANDY, N. C., CARTER, S., and BOWMAN, J. M., 2002, Spectrochim. Acta A, 58, 825.
-
(2002)
Spectrochim. Acta A
, vol.58
, pp. 825
-
-
Leonard, C.1
Handy, N.C.2
Carter, S.3
Bowman, J.M.4
-
47
-
-
0036008165
-
-
BOWMAN, J. M., HUANG, X., and CARTER, S., 2002, Spectrochim. Acta A, 58, 839.
-
(2002)
Spectrochim. Acta A
, vol.58
, pp. 839
-
-
Bowman, J.M.1
Huang, X.2
Carter, S.3
-
48
-
-
0037158925
-
-
HUANG, X., CARTER, S., and BOWMAN, J. M., 2002, J. Phys. Chem. B, 106, 8182.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 8182
-
-
Huang, X.1
Carter, S.2
Bowman, J.M.3
-
49
-
-
0031094323
-
-
PARTRIDGE, H., and SCHWENKE, D. W., 1997, J. Chem. Phys., 106, 4618.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 4618
-
-
Partridge, H.1
Schwenke, D.W.2
-
51
-
-
36449001545
-
-
LEE, T. J., MARTIN, J. M. L., and TAYLOR, P. R., 1995, J. Chem. Phys., 102, 254.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 254
-
-
Lee, T.J.1
Martin, J.M.L.2
Taylor, P.R.3
-
54
-
-
0037009678
-
-
MIANI, A., BEDDONI, A., PESONEN, J., and HALONEN, L., 2002, Chem. Phys. Lett., 363, 52.
-
(2002)
Chem. Phys. Lett.
, vol.363
, pp. 52
-
-
Miani, A.1
Beddoni, A.2
Pesonen, J.3
Halonen, L.4
-
55
-
-
0042210727
-
-
COLWELL, S. M., CARTER, S., and HANDY, N. C., 2003, Mol. Phys., 101, 523.
-
(2003)
Mol. Phys.
, vol.101
, pp. 523
-
-
Colwell, S.M.1
Carter, S.2
Handy, N.C.3
-
56
-
-
0034224303
-
-
CARTER, S., and HANDY, N., 2000, J. Chem. Phys., 113, 987.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 987
-
-
Carter, S.1
Handy, N.2
-
57
-
-
0034919901
-
-
(a) TEW, D. P., HANDY, N. C., and CARTER, S., 2001, Phys. Chem. Chem. Phys., 3, 1958;
-
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 1958
-
-
Tew, D.P.1
Handy, N.C.2
Carter, S.3
-
58
-
-
0035836319
-
-
(b) TEW, D. P., HANDY, N. C., and CARTER, S., 2001, Mol. Phys., 99, 393.
-
(2001)
Mol. Phys.
, vol.99
, pp. 393
-
-
Tew, D.P.1
Handy, N.C.2
Carter, S.3
-
59
-
-
0001372616
-
-
and references therein
-
TANG, J., and OKA, T., 1999, J. Mol. Spectrosc., 196, 120, and references therein.
-
(1999)
J. Mol. Spectrosc.
, vol.196
, pp. 120
-
-
Tang, J.1
Oka, T.2
-
60
-
-
0011629671
-
-
(a) YEH, L. I., OKUMURA, M., MYERS, J. D., PRICE, J. M., and LEE, Y. T., 1989, J. Chem. Phys., 91, 7319;
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 7319
-
-
Yeh, L.I.1
Okumura, M.2
Myers, J.D.3
Price, J.M.4
Lee, Y.T.5
-
61
-
-
13344286426
-
-
(b) OKUMURA, M., YEH, L. I., MYERS, J. D., and LEE, Y. T., 1990, J. Phys. Chem., 94, 3416.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 3416
-
-
Okumura, M.1
Yeh, L.I.2
Myers, J.D.3
Lee, Y.T.4
-
62
-
-
0037470409
-
-
ASMIS, K. R., PIVONKA, N. L., SANTAMBROGIO, G., BRÜMMER, M., KAPOSTA, C., NEUMARK, D. M., and WÖSTE, L., 2003, Science, 299, 1375.
-
(2003)
Science
, vol.299
, pp. 1375
-
-
Asmis, K.R.1
Pivonka, N.L.2
Santambrogio, G.3
Brümmer, M.4
Kaposta, C.5
Neumark, D.M.6
Wöste, L.7
-
63
-
-
0342936427
-
-
VENER, M. V., KUHN, O., and SAUER, J. J., 2001, J. Chem. Phys., 114, 240.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 240
-
-
Vener, M.V.1
Kuhn, O.2
Sauer, J.J.3
-
64
-
-
0034732294
-
-
CHABAN, G. M., JUNG, J. O., and GERBER, R. B., 2000, J. Phys. Chem. A, 104, 2772.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 2772
-
-
Chaban, G.M.1
Jung, J.O.2
Gerber, R.B.3
-
65
-
-
0347033855
-
-
VALEEV, E. F., and SCHEAEFER, H. F., III, 1998, J. Chem. Phys., 108, 7197.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 7197
-
-
Valeev, E.F.1
Scheaefer H.F. III2
-
66
-
-
0000709036
-
-
OJAMÄE, L., SHAVITT, I., SINGER, S. J., 1998, J. Chem. Phys., 109, 5547.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 5547
-
-
Ojamäe, L.1
Shavitt, I.2
Singer, S.J.3
-
67
-
-
0004401864
-
-
(a) FEHRENSEN, B., LUCKHAUS, D., and QUACK, M., 1999, Z. Phys. Chem., 209, 1;
-
(1999)
Z. Phys. Chem.
, vol.209
, pp. 1
-
-
Fehrensen, B.1
Luckhaus, D.2
Quack, M.3
-
68
-
-
0001425115
-
-
(b) FEHRENSEN, B., LUCKHAUS, D., and QUACK, M., 1999, Chem. Phys. Lett., 300, 312.
-
(1999)
Chem. Phys. Lett.
, vol.300
, pp. 312
-
-
Fehrensen, B.1
Luckhaus, D.2
Quack, M.3
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