-
3
-
-
36549098327
-
-
Hynes, A. J.; Steinberg, M.; Schofield, K. J. Chem. Phys. 1984, 80, 2585. Jensen, D. J. Chem. Soc., Faraday Trans. 1 1982, 78, 2835. Newman, R. N.; Payne, J. F. B. Combust. Flame 1978, 33, 291.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 2585
-
-
Hynes, A.J.1
Steinberg, M.2
Schofield, K.3
-
4
-
-
0000823681
-
-
Hynes, A. J.; Steinberg, M.; Schofield, K. J. Chem. Phys. 1984, 80, 2585. Jensen, D. J. Chem. Soc., Faraday Trans. 1 1982, 78, 2835. Newman, R. N.; Payne, J. F. B. Combust. Flame 1978, 33, 291.
-
(1982)
J. Chem. Soc., Faraday Trans. 1
, vol.78
, pp. 2835
-
-
Jensen, D.1
-
5
-
-
0018038735
-
-
Hynes, A. J.; Steinberg, M.; Schofield, K. J. Chem. Phys. 1984, 80, 2585. Jensen, D. J. Chem. Soc., Faraday Trans. 1 1982, 78, 2835. Newman, R. N.; Payne, J. F. B. Combust. Flame 1978, 33, 291.
-
(1978)
Combust. Flame
, vol.33
, pp. 291
-
-
Newman, R.N.1
Payne, J.F.B.2
-
6
-
-
33847539531
-
-
Benard, D. J.; Benson, R. C.; Walker, R. E. Appl. Phys. Lett. 1973, 35, 161. Benson, R. C.; Bergeron, C. B.; Walker, R. E. Chem. Phys. Lett. 1975, 35, 161. Bernard, D. J. Chem. Phys. Lett. 1975, 35, 167.
-
(1973)
Appl. Phys. Lett.
, vol.35
, pp. 161
-
-
Benard, D.J.1
Benson, R.C.2
Walker, R.E.3
-
7
-
-
33847539531
-
-
Benard, D. J.; Benson, R. C.; Walker, R. E. Appl. Phys. Lett. 1973, 35, 161. Benson, R. C.; Bergeron, C. B.; Walker, R. E. Chem. Phys. Lett. 1975, 35, 161. Bernard, D. J. Chem. Phys. Lett. 1975, 35, 167.
-
(1975)
Chem. Phys. Lett.
, vol.35
, pp. 161
-
-
Benson, R.C.1
Bergeron, C.B.2
Walker, R.E.3
-
8
-
-
33645842639
-
-
Benard, D. J.; Benson, R. C.; Walker, R. E. Appl. Phys. Lett. 1973, 35, 161. Benson, R. C.; Bergeron, C. B.; Walker, R. E. Chem. Phys. Lett. 1975, 35, 161. Bernard, D. J. Chem. Phys. Lett. 1975, 35, 167.
-
(1975)
J. Chem. Phys. Lett.
, vol.35
, pp. 167
-
-
Bernard, D.1
-
18
-
-
0000780463
-
-
Personal communication
-
Hildenbrand, D. L.; Murad, E. J. Chem. Phys. 1970, 53, 3403. Hildenbrand, D. L. Personal communication.
-
-
-
Hildenbrand, D.L.1
-
20
-
-
36449008195
-
-
Wright, T. G.; Ellis, A. M.; Dyke, J. M. J. Chem. Phys. 1993, 98, 2891.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 2891
-
-
Wright, T.G.1
Ellis, A.M.2
Dyke, J.M.3
-
22
-
-
36549100558
-
-
Langhoff, S. R.; Bauschlicher, C. W.; Partridge, H. J. Chem. Phys. 1986, 84, 4474.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4474
-
-
Langhoff, S.R.1
Bauschlicher, C.W.2
Partridge, H.3
-
23
-
-
0000294537
-
-
Lee, E. P. F.; Wright, T. G.; Dyke, J. M. Mol. Phys. 1992, 77, 501; 1994, 82, 1281.
-
(1992)
Mol. Phys.
, vol.77
, pp. 501
-
-
Lee, E.P.F.1
Wright, T.G.2
Dyke, J.M.3
-
24
-
-
11644286312
-
-
Lee, E. P. F.; Wright, T. G.; Dyke, J. M. Mol. Phys. 1992, 77, 501; 1994, 82, 1281.
-
(1994)
Mol. Phys.
, vol.82
, pp. 1281
-
-
-
25
-
-
0003879988
-
-
CCP1/81/1; SERC Daresbury Laboratory, Warrington, U.K.
-
GAMESS-UK: Guest, M. F.; Kendrick, J. GAMESS User Manual, CCP1/81/1; SERC Daresbury Laboratory, Warrington, U.K.
-
GAMESS User Manual
-
-
Guest, M.F.1
Kendrick, J.2
-
26
-
-
35348906888
-
-
Dunning, T. H., Jr. J. Chem. Phys. 1971, 55, 716. McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639.
-
(1971)
J. Chem. Phys.
, vol.55
, pp. 716
-
-
Dunning Jr., T.H.1
-
27
-
-
0141509423
-
-
Dunning, T. H., Jr. J. Chem. Phys. 1971, 55, 716. McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 5639
-
-
McLean, A.D.1
Chandler, G.S.2
-
29
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA
-
Gaussian 94 (Revision E.1), M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheesemans, T. W. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94 (Revision E.1)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheesemans, J.R.7
Keith, T.W.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
30
-
-
0002745201
-
-
MOLPRO is a package of ab initio programs written by H.-J. Werner, P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, A. Berning, M. J. O. Deegan, F. Eckert, S. T. Elbert, C. Hampel, R. Lindh, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, M. E. Mura, P. Pulay, M. Schuetz, H. Stoll, T. Thorsteinsson, and D. L. Cooper. With the CCSD treatment being described in: Hampel, C.; Peterson, K.; Werner, H. J. Chem. Phys. Lett. 1992, 190, 1.
-
(1992)
Chem. Phys. Lett.
, vol.190
, pp. 1
-
-
Hampel, C.1
Peterson, K.2
Werner, H.J.3
-
31
-
-
0001893396
-
-
Langhoff, S. R.; Partridge, H.; Bauschlicher, C. W., Jr. Chem. Phys. 1991, 153, 1.
-
(1991)
Chem. Phys.
, vol.153
, pp. 1
-
-
Langhoff, S.R.1
Partridge, H.2
Bauschlicher Jr., C.W.3
-
32
-
-
84990713479
-
-
Lee, T. J.; Taylor, P. R. Int. J. Quantum Chem. Symp. 1989, 23, 199. Lee, T. J.; Rendell, A. P.; Taylor, P. R. J. Phys. Chem. 1990, 94, 5463.
-
(1989)
Int. J. Quantum Chem. Symp.
, vol.23
, pp. 199
-
-
Lee, T.J.1
Taylor, P.R.2
-
33
-
-
0000217083
-
-
Lee, T. J.; Taylor, P. R. Int. J. Quantum Chem. Symp. 1989, 23, 199. Lee, T. J.; Rendell, A. P.; Taylor, P. R. J. Phys. Chem. 1990, 94, 5463.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5463
-
-
Lee, T.J.1
Rendell, A.P.2
Taylor, P.R.3
-
36
-
-
0001623060
-
-
Yamada, C.; Fujitake, M.; Hirota, E. J. Chem. Phys. 1989, 90, 3033.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 3033
-
-
Yamada, C.1
Fujitake, M.2
Hirota, E.3
-
38
-
-
0003392735
-
-
National Bureau of Standards Circular No. 467; US GPO: Washington, DC
-
Moore, C. E. Atomic Energy Levels; National Bureau of Standards Circular No. 467; US GPO: Washington, DC, 1949.
-
(1949)
Atomic Energy Levels
-
-
Moore, C.E.1
-
39
-
-
0000592747
-
-
Neumark, D. M.; Lykke, K. R.; Anderson, T.; Lineberger, W. C. Phys. Rev. A 1985, 32, 1890.
-
(1985)
Phys. Rev. A
, vol.32
, pp. 1890
-
-
Neumark, D.M.1
Lykke, K.R.2
Anderson, T.3
Lineberger, W.C.4
-
40
-
-
0000772004
-
-
Müller-Dethlefs, K.; Cockett, M. C. R.; Wright, T. G. Annu. Rep. Prog. Chem. C 1998, 94, 327.
-
(1998)
Annu. Rep. Prog. Chem. C
, vol.94
, pp. 327
-
-
Müller-Dethlefs, K.1
Cockett, M.C.R.2
Wright, T.G.3
-
42
-
-
0001065551
-
-
Lee, E. P. F.; Soldán, P.; Wright, T. G. Chem. Phys. Lett. 1998, 295, 354.
-
(1998)
Chem. Phys. Lett.
, vol.295
, pp. 354
-
-
Lee, E.P.F.1
Soldán, P.2
Wright, T.G.3
|