-
2
-
-
12044254415
-
-
Ziurys, L. M.; Apponi, A. J.; Phillips, T. G. Astrophys. J. 1994, 433, 729.
-
(1994)
Astrophys. J.
, vol.433
, pp. 729
-
-
Ziurys, L.M.1
Apponi, A.J.2
Phillips, T.G.3
-
3
-
-
11744256868
-
-
Chase, M. W., Jr.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverup, A. N. J. Phys. Chem. Ref. Data 1985, 14 (Suppl. 1).
-
(1985)
J. Phys. Chem. Ref. Data
, vol.14
, Issue.1 SUPPL.
-
-
Chase Jr., M.W.1
Davies, C.A.2
Downey Jr., J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverup, A.N.6
-
4
-
-
0041401966
-
-
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
6
-
-
36448999570
-
-
Curtiss, L. A.; McGrath, M. P.; Blaudeau, J.-P.; Davis, N. E.; Binning, R. C., Jr.; Radom, L. J. Chem. Phys. 1995, 103, 6104.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 6104
-
-
Curtiss, L.A.1
McGrath, M.P.2
Blaudeau, J.-P.3
Davis, N.E.4
Binning Jr., R.C.5
Radom, L.6
-
9
-
-
0000109748
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Pople, J. A. J. Chem. Phys. 1997, 106, 1063.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1063
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Pople, J.A.4
-
10
-
-
85034291507
-
-
note
-
9 that spin-orbit corrections improve the theoretical enthalpy values for polychlorinated compounds but do not significantly improve agreement between theory and experiment for polyfluorinated species.
-
-
-
-
11
-
-
0010922186
-
-
Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. F.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; DeFrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian94, Revision B.2; Gaussian Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian94, Revision B.2
-
-
Frisch, M.F.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Al-Laham, M.A.9
Zakrzewski, V.G.10
Ortiz, J.V.11
Foresman, J.B.12
Cioslowski, J.13
Stefanov, B.B.14
Nanayakkara, A.15
Challacombe, M.16
Peng, C.Y.17
Ayala, P.Y.18
Chen, W.19
Wong, M.W.20
Andres, J.L.21
Replogle, E.S.22
Gomperts, R.23
Martin, R.L.24
Fox, D.J.25
Binkley, J.S.26
DeFrees, D.J.27
Baker, J.28
Stewart, J.J.P.29
Head-Gordon, M.30
Gonzalez, C.31
Pople, J.A.32
more..
-
13
-
-
0001639921
-
-
Dyke, J. M.; Kirby, C.; Morris, A.; Gravenor, B. W. J.; Klein, R.; Rosmus, P. Chem. Phys. 1984, 88, 289.
-
(1984)
Chem. Phys.
, vol.88
, pp. 289
-
-
Dyke, J.M.1
Kirby, C.2
Morris, A.3
Gravenor, B.W.J.4
Klein, R.5
Rosmus, P.6
-
14
-
-
11744315014
-
-
Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17 (Suppl. 1).
-
(1988)
J. Phys. Chem. Ref. Data
, vol.17
, Issue.1 SUPPL.
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
-
17
-
-
36449008977
-
-
Curtiss, L. A.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1995, 103, 4192.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4192
-
-
Curtiss, L.A.1
Raghavachari, K.2
Pople, J.A.3
-
18
-
-
11744376784
-
-
Chai, B. J.; Ko, H. C.; Greenbaum, M. A.; Farber, M. J. Phys. Chem. 1967, 71, 3331.
-
(1967)
J. Phys. Chem.
, vol.71
, pp. 3331
-
-
Chai, B.J.1
Ko, H.C.2
Greenbaum, M.A.3
Farber, M.4
-
19
-
-
4243591218
-
-
Dibeler, V. H.; Walker, J. A. Inorg. Chem. 1968, 7, 1742; 1969, 8, 50.
-
(1968)
Inorg. Chem.
, vol.7
, pp. 1742
-
-
Dibeler, V.H.1
Walker, J.A.2
-
20
-
-
4243591218
-
-
Dibeler, V. H.; Walker, J. A. Inorg. Chem. 1968, 7, 1742; 1969, 8, 50.
-
(1969)
Inorg. Chem.
, vol.8
, pp. 50
-
-
-
23
-
-
1242290150
-
-
Uy, O. M.; Srivastava, R. D.; Farber, M. High Temp. Sci. 1972, 4, 227.
-
(1972)
High Temp. Sci.
, vol.4
, pp. 227
-
-
Uy, O.M.1
Srivastava, R.D.2
Farber, M.3
-
25
-
-
0000028487
-
-
Mayer, P. M.; Parkinson, C. J.; Smith, D. M.; Radom, L. J. Chem. Phys. 1998, 108, 604.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 604
-
-
Mayer, P.M.1
Parkinson, C.J.2
Smith, D.M.3
Radom, L.4
-
27
-
-
36449005236
-
-
Fisher, E. R.; Kickel, B. L.; Armentrout, P. B. J. Chem. Phys. 1992, 97, 4859.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 4859
-
-
Fisher, E.R.1
Kickel, B.L.2
Armentrout, P.B.3
-
28
-
-
0011643648
-
-
Becker, H.-J.; Hrusák, J.; Schwarz, H.; Bohme, D. K. J. Chem. Phys. 1994, 100, 1759.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 1759
-
-
Becker, H.-J.1
Hrusák, J.2
Schwarz, H.3
Bohme, D.K.4
-
29
-
-
85034306485
-
-
note
-
2 evidently prefers a more nearly linear configuration which can minimize repulsive interactions between the two fluorine atoms.
-
-
-
-
31
-
-
84990636005
-
-
Falaleyev, A. G.; Andreyev, V. A.; Vovna, V. I. Int. J. Quantum Chem. 1992, 43, 573.
-
(1992)
Int. J. Quantum Chem.
, vol.43
, pp. 573
-
-
Falaleyev, A.G.1
Andreyev, V.A.2
Vovna, V.I.3
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