-
3
-
-
0039966151
-
-
Bonacic-Koutecky, V.; Fantucci, P.; Koutecký, J. Chem. Rev. 1991, 91, 1035.
-
(1991)
Chem. Rev.
, vol.91
, pp. 1035
-
-
Bonacic-Koutecky, V.1
Fantucci, P.2
Koutecký, J.3
-
4
-
-
0000819202
-
-
Meden, A.; Mavri, J.; Bele, M.; Pejovnik, S. J. Phys. Chem. 1995, 99, 4252.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 4252
-
-
Meden, A.1
Mavri, J.2
Bele, M.3
Pejovnik, S.4
-
10
-
-
0041465332
-
Spectroscopy of Lithium Boride, a candidate HEDM Species
-
Woods Hole, MA
-
Sheehy, J. A. Spectroscopy of Lithium Boride, A candidate HEDM Species; Proceedings of the High Energy Density Matter, 1995; Woods Hole, MA.
-
(1995)
Proceedings of the High Energy Density Matter
-
-
Sheehy, J.A.1
-
11
-
-
0001383685
-
-
Ivanic, J.; Marsden, C. J. J. Am. Chem. Soc. 1993, 115, 7503. Marsden, C. J. J. Chem. Soc., Chem. Commun. 1989, 1356. Ivanic, J.; Marsden, C. J.; Hassett, D. M. J. Chem. Soc., Chem. Commun. 1993, 822.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 7503
-
-
Ivanic, J.1
Marsden, C.J.2
-
12
-
-
37049067358
-
-
Ivanic, J.; Marsden, C. J. J. Am. Chem. Soc. 1993, 115, 7503. Marsden, C. J. J. Chem. Soc., Chem. Commun. 1989, 1356. Ivanic, J.; Marsden, C. J.; Hassett, D. M. J. Chem. Soc., Chem. Commun. 1993, 822.
-
(1989)
J. Chem. Soc., Chem. Commun.
, pp. 1356
-
-
Marsden, C.J.1
-
13
-
-
37049090154
-
-
Ivanic, J.; Marsden, C. J. J. Am. Chem. Soc. 1993, 115, 7503. Marsden, C. J. J. Chem. Soc., Chem. Commun. 1989, 1356. Ivanic, J.; Marsden, C. J.; Hassett, D. M. J. Chem. Soc., Chem. Commun. 1993, 822.
-
(1993)
J. Chem. Soc., Chem. Commun.
, pp. 822
-
-
Ivanic, J.1
Marsden, C.J.2
Hassett, D.M.3
-
15
-
-
36449000143
-
-
Boldyrev, A. I.; Simons, J.; Schleyer, P. v. R. J. Chem. Phys. 1993, 1993, 8793.
-
(1993)
J. Chem. Phys.
, vol.1993
, pp. 8793
-
-
Boldyrev, A.I.1
Simons, J.2
Schleyer, P.V.R.3
-
17
-
-
0000491697
-
-
Bader, R. F. W.; Nguyen-Dang, T. T.; Tal, Y. Rep. Prog. Phys. 1981, 44, 893.
-
(1981)
Rep. Prog. Phys.
, vol.44
, pp. 893
-
-
Bader, R.F.W.1
Nguyen-Dang, T.T.2
Tal, Y.3
-
22
-
-
84986444438
-
-
Pople, J. A.; Binkley, J. S.; Seeger, R. Int. J. Quantum Chem. Symp. 1976, 10, 1.
-
(1976)
Int. J. Quantum Chem. Symp.
, vol.10
, pp. 1
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
23
-
-
0000244199
-
-
Pople, J. A.; Krishnan, R.; Schlegel, B.; Binkley, J. S. Int. J. Quantum Chem. Symp. 1979, 13, 325.
-
(1979)
Int. J. Quantum Chem. Symp.
, vol.13
, pp. 325
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, B.3
Binkley, J.S.4
-
24
-
-
0347170005
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
25
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
26
-
-
84986468715
-
-
Clark, T. C., J.; Spitznagel, G. W., Schleyer, P. v. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.C.J.1
Spitznagel, G.W.2
Schleyer, P.V.R.3
-
29
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
30
-
-
0001177596
-
-
Roos, B. O.; Taylor, P. R.; Siegbahn, P. E. M. Chem. Phys. 1980, 48, 157.
-
(1980)
Chem. Phys.
, vol.48
, pp. 157
-
-
Roos, B.O.1
Taylor, P.R.2
Siegbahn, P.E.M.3
-
31
-
-
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
-
32
-
-
36449002507
-
-
Curtiss, L. A.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1993, 98, 1293.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1293
-
-
Curtiss, L.A.1
Raghavachari, K.2
Pople, J.A.3
-
33
-
-
0344297899
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Replogle, E. S. Chem. Phys. Lett. 1989, 158, 207.
-
(1989)
Chem. Phys. Lett.
, vol.158
, pp. 207
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Replogle, E.S.4
-
35
-
-
0010922186
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. B. F.; 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. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN94, Revision B.1; Gaussian, Inc.: Pittsburgh, PA, 1994.
-
(1994)
GAUSSIAN94, Revision B.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
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.B.F.14
Cioslowski, J.15
Stefanov, B.B.16
Nanayakkara, A.17
Challacombe, M.18
Peng, C.Y.19
Ayala, P.Y.20
Chen, W.21
Wong, M.W.22
Andres, J.L.23
Replogle, E.S.24
Gomperts, R.25
Martin, R.L.26
Fox, D.J.27
Binkley, J.S.28
Defrees, D.J.29
Baker, J.30
Stewart, J.P.31
Head-Gordon, M.32
Gonzalez, C.33
Pople, J.A.34
more..
-
36
-
-
84893169025
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
37
-
-
85034307748
-
-
note
-
2 expectation values.
-
-
-
-
38
-
-
0001415501
-
-
Boustani, I.; Pewestorf, W.; Fantucci, P.; Bonacic-Koutecký, V.; Koutecký, J. Phys. Rev. B 1987, 35, 9437.
-
(1987)
Phys. Rev. B
, vol.35
, pp. 9437
-
-
Boustani, I.1
Pewestorf, W.2
Fantucci, P.3
Bonacic-Koutecký, V.4
Koutecký, J.5
|