-
2
-
-
36449005447
-
-
B. Heumann, K. Weide, R. Düren, and R. Schinke, J. Chem. Phys. 98, 5508 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5508
-
-
Heumann, B.1
Weide, K.2
Düren, R.3
Schinke, R.4
-
14
-
-
0028532265
-
-
P. W. Browning, E. Jensen, G. C. G. Waschewsky, M. R. Tate, L. J. Butler, and J. P. Hessler, J. Chem. Phys. 101, 5652 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5652
-
-
Browning, P.W.1
Jensen, E.2
Waschewsky, G.C.G.3
Tate, M.R.4
Butler, L.J.5
Hessler, J.P.6
-
17
-
-
36549093695
-
-
X. Xie, L. Schneider, H. Wallmeier, R. Boettner, K. H. Welge, and M. N. R. Ashfold, J. Chem. Phys. 92, 1608 (1990).
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 1608
-
-
Xie, X.1
Schneider, L.2
Wallmeier, H.3
Boettner, R.4
Welge, K.H.5
Ashfold, M.N.R.6
-
18
-
-
0000025850
-
-
M. D. Person, K. Q. Lao, B. J. Eckholm, and L. J. Butler, J. Chem. Phys. 91, 812 (1989).
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 812
-
-
Person, M.D.1
Lao, K.Q.2
Eckholm, B.J.3
Butler, L.J.4
-
19
-
-
36549101916
-
-
B. R. Weiner, H. B. Levene, J. J. Valentini, and A. P. Braonavski, J. Chem. Phys. 90, 1403 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1403
-
-
Weiner, B.R.1
Levene, H.B.2
Valentini, J.J.3
Braonavski, A.P.4
-
20
-
-
0001671251
-
-
G. N. A. Van Veen, K. A. Mohammed, T. Baller, and A. E. DeVries, Chem. Phys. 74, 261 (1983).
-
(1983)
Chem. Phys.
, vol.74
, pp. 261
-
-
Van Veen, G.N.A.1
Mohammed, K.A.2
Baller, T.3
Devries, A.E.4
-
22
-
-
85033057160
-
-
Ph.D. dissertation, University of Washington
-
L. B. Clark, Ph.D. dissertation, University of Washington, 1963.
-
(1963)
-
-
Clark, L.B.1
-
23
-
-
0009793186
-
-
W. C. Price, J. P. Teegan, and A. D. Walsh, Proc. R. Soc. London, Ser. A 201, 600 (1950).
-
(1950)
Proc. R. Soc. London, Ser. A
, vol.201
, pp. 600
-
-
Price, W.C.1
Teegan, J.P.2
Walsh, A.D.3
-
24
-
-
0006761145
-
-
and references therein
-
See, V. Engel, V. Staemmler R. L. VanderWal, F. F. Crim, R. J. Sension, B. Hudson, P. Andresen, S. Henng, K. Weide, and R. Schinke, J. Phys. Chem. 96, 3201 (1992), and references therein.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 3201
-
-
Engel, V.1
Staemmler, V.2
Vanderwal, R.L.3
Crim, F.F.4
Sension, R.J.5
Hudson, B.6
Andresen, P.7
Henng, S.8
Weide, K.9
Schinke, R.10
-
25
-
-
85033067830
-
-
Information on the basis set used in the CEPA calculations is unavailable, and consequently it is difficult to assess their quality
-
Information on the basis set used in the CEPA calculations is unavailable, and consequently it is difficult to assess their quality.
-
-
-
-
26
-
-
36749107364
-
-
H. Sun, K. F. Freed, M. F. Herman, and D. L. Yeager, J. Chem. Phys. 72, 4158 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 4158
-
-
Sun, H.1
Freed, K.F.2
Herman, M.F.3
Yeager, D.L.4
-
33
-
-
0000789417
-
-
J. E. Stevens, K. F. Freed, M. F. Arendt, and R. L. Graham, J. Chem. Phys. 101, 4832 (1994);
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4832
-
-
Stevens, J.E.1
Freed, K.F.2
Arendt, M.F.3
Graham, R.L.4
-
34
-
-
36449009771
-
-
J. E. Stevens, H. W. Jang, L. J. Bulter, and J. C. Light, J. Chem. Phys., ibid. 102, 7059 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7059
-
-
Stevens, J.E.1
Jang, H.W.2
Bulter, L.J.3
Light, J.C.4
-
56
-
-
84986468715
-
-
This basis is augmented by the same polarization and diffuse functions which are used in the smaller basis, as well as with a set of diffuse d functions with exponents 0.02 and f polarization functions with exponents 0.75. The H atoms use the smaller basis set, augmented by the diffuse s function of Clark [from J. Comp. Chem. 4, 294 (1983)] with an exponent of 0.36, diffuse p functions with exponent 0.36, and a set of d polarization functions with exponents 0.1.
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 294
-
-
-
59
-
-
0038761772
-
-
L. Karlson, L. Matsson, R. Jadrny, T. Beremark, and K. Siegbahn, Phys. Scr. 13, 229 (1976).
-
(1976)
Phys. Scr.
, vol.13
, pp. 229
-
-
Karlson, L.1
Matsson, L.2
Jadrny, R.3
Beremark, T.4
Siegbahn, K.5
-
63
-
-
85033048240
-
-
note
-
SH range from 2.0 a.u. to 3.0 a.u. in increments of 0.1 a.u., while from 3.0 to 5.0 a.u. the increments are 0.25 a.u. The symmetric stretch has points covering the range of 2.0 a.u. to 3.0 a.u. in increments of 0.1 a.u., while from 3.25 to 4.5 a.u. the increments are 0.25 a.u. (3) Several additional points have been computed near the ground state equilibrium position and near the H-SH dissociation limit.
-
-
-
-
64
-
-
5544267255
-
-
and references therein
-
See, R. A. Harris, M. R. Wedlock, L. J. Butler, and K. F. Freed, J. Chem. Phys. 96, 2437 (1992), and references therein.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2437
-
-
Harris, R.A.1
Wedlock, M.R.2
Butler, L.J.3
Freed, K.F.4
|