-
1
-
-
0011636598
-
-
Aurbach, D.; Levi, M. D.; Levi, E.; Schechter, A. J. Phys. Chem. B 1997, 101, 2195.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 2195
-
-
Aurbach, D.1
Levi, M.D.2
Levi, E.3
Schechter, A.4
-
2
-
-
0001398249
-
-
Klassen, B.; Aroca, R.; Nazri, M.; Nazri, G. A. J. Phys. Chem. B 1998, 102, 4795.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 4795
-
-
Klassen, B.1
Aroca, R.2
Nazri, M.3
Nazri, G.A.4
-
4
-
-
0038256211
-
Batteries for Portable Applications and Electric Vehicles
-
The Electrochemical Society: Pennington, NJ
-
Jehoulet, C.; Biensan, P.; Bodet, J. M.; Broussely, M.; Tessier-Lescourret, C. Batteries for Portable Applications and Electric Vehicles; The Electrochemical Society Proceedings Series; The Electrochemical Society: Pennington, NJ, 1997.
-
(1997)
The Electrochemical Society Proceedings Series
-
-
Jehoulet, C.1
Biensan, P.2
Bodet, J.M.3
Broussely, M.4
Tessier-Lescourret, C.5
-
5
-
-
0032561776
-
-
Fujii, A.; Fujimaki, E.; Ebata, T.; Mikami, N. J. Am. Chem. Soc. 1998, 120, 13256.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 13256
-
-
Fujii, A.1
Fujimaki, E.2
Ebata, T.3
Mikami, N.4
-
7
-
-
0033599295
-
-
Houk, K. N.; Menzer, S.; Newton, S. P.; Raymo, F. M.; Stoddart, J. F.; Williams, D. J. J. Am. Chem. Soc. 1999, 121, 1479.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 1479
-
-
Houk, K.N.1
Menzer, S.2
Newton, S.P.3
Raymo, F.M.4
Stoddart, J.F.5
Williams, D.J.6
-
8
-
-
0034599853
-
-
Scheiner, S.; Gu, Y.; Kar, T. J. Mol. Struct.: THEOCHEM 2000, 500, 441.
-
(2000)
J. Mol. Struct.: THEOCHEM
, vol.500
, pp. 441
-
-
Scheiner, S.1
Gu, Y.2
Kar, T.3
-
11
-
-
0033552238
-
-
Gu, Y.; Kar, T.; Scheiner, S. J. Am. Chem. Soc. 1999, 121, 9411.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 9411
-
-
Gu, Y.1
Kar, T.2
Scheiner, S.3
-
14
-
-
0035837964
-
-
Hartmann, M.; Wetmore, S. D.; Radom, L. J. Phys. Chem. A 2001, 105, 4470.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 4470
-
-
Hartmann, M.1
Wetmore, S.D.2
Radom, L.3
-
16
-
-
0001328030
-
-
Cubero, E.; Orozco, M.; Hobza, P.; Luque, F. J. J. Phys. Chem. A 1999, 103, 6394.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 6394
-
-
Cubero, E.1
Orozco, M.2
Hobza, P.3
Luque, F.J.4
-
19
-
-
33748225339
-
-
Savin, A.; Becke, A. D.; Flad, J.; Nesper, R.; Preuss, H.; Schnering, H. G. v. Angew. Chem., Int. Ed. Engl. 1991, 30, 409.
-
(1991)
Angew. Chem., Int. Ed. Engl.
, vol.30
, pp. 409
-
-
Savin, A.1
Becke, A.D.2
Flad, J.3
Nesper, R.4
Preuss, H.5
Schnering, H.G.V.6
-
23
-
-
0001684777
-
-
Zhang, Y.; Pan, W.; Yang, W. J. Chem. Phys. 1997, 107, 7921.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 7921
-
-
Zhang, Y.1
Pan, W.2
Yang, W.3
-
25
-
-
0031250361
-
-
Wesolowski, T. A.; Parisel, O.; Ellinger, Y.; Weber, J. J. Chem. Phys. A 1997, 101, 7818.
-
(1997)
J. Chem. Phys. A
, vol.101
, pp. 7818
-
-
Wesolowski, T.A.1
Parisel, O.2
Ellinger, Y.3
Weber, J.4
-
26
-
-
0034273516
-
-
Enkvist, C.; Zhang, Y.; Yang, W. Int. J. Quantum Chem. 2000, 79, 325.
-
(2000)
Int. J. Quantum Chem.
, vol.79
, pp. 325
-
-
Enkvist, C.1
Zhang, Y.2
Yang, W.3
-
28
-
-
0002851019
-
Unified theory of exchange and correlation beyond the local density approximation
-
Ziesche, P., Eschrig, H., Eds.; Akademie Verlag: Berlin
-
Perdew, J. P. Unified theory of exchange and correlation beyond the local density approximation. In Electronic Structure of Solids; Ziesche, P., Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991.
-
(1991)
Electronic Structure of Solids
-
-
Perdew, J.P.1
-
30
-
-
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
-
33
-
-
0030773972
-
-
Savin, A.; Nesper, R.; Wengert, S.; Fässler, T. F. Angew. Chem., Int. Ed. Engl. 1997, 36, 1808-1832.
-
(1997)
Angew. Chem., Int. Ed. Engl.
, vol.36
, pp. 1808-1832
-
-
Savin, A.1
Nesper, R.2
Wengert, S.3
Fässler, T.F.4
-
34
-
-
0033126044
-
-
Flad, H.-J.; Schautz, F.; Wang, Y.; Dolg, M.; Savin, A. Eur. Phys. J. D 1999, 6, 243-254.
-
(1999)
Eur. Phys. J. D
, vol.6
, pp. 243-254
-
-
Flad, H.-J.1
Schautz, F.2
Wang, Y.3
Dolg, M.4
Savin, A.5
-
35
-
-
0001310959
-
-
Wang, Y.; Schautz, F.; Flad, H.-J.; Dolg, M. J. Phys. Chem. A 1999, 103, 5091-5098.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5091-5098
-
-
Wang, Y.1
Schautz, F.2
Flad, H.-J.3
Dolg, M.4
-
36
-
-
0033722132
-
-
Wang, Y.; Flad, H.-J.; Dolg, M. J. Phys. Chem. A 2000, 104, 5558-5567.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 5558-5567
-
-
Wang, Y.1
Flad, H.-J.2
Dolg, M.3
-
38
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
40
-
-
21544470104
-
Molpro is a package of ab initio programs
-
Molpro is a package of ab initio programs written by Werner, H.-J. and Knowles, P. J. with contributions from: Almloef, J.; Amos, R. D.; Deegan, M. J. O.; Elbert, S. T.; Hampel, C.; Meryer, W.; Nicklass, A.; Peterson, K.; Pitzer, R. M.; Stone, A. J.; Talyor, P. R.; Werner, H.-J.; Knowles, P. J. Theor. Chim. Acta 1990, 78, 175.
-
(1990)
Theor. Chim. Acta
, vol.78
, pp. 175
-
-
Werner, H.-J.1
Knowles, P.J.2
Almloef, J.3
Amos, R.D.4
Deegan, M.J.O.5
Elbert, S.T.6
Hampel, C.7
Meryer, W.8
Nicklass, A.9
Peterson, K.10
Pitzer, R.M.11
Stone, A.J.12
Talyor, P.R.13
Werner, H.-J.14
Knowles, P.J.15
-
41
-
-
0002745201
-
-
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
-
43
-
-
36749111449
-
-
Curtiss, L. A.; Frurip, D. J.; Blander, M. J. Chem. Phys. 1979, 71, 2703.
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 2703
-
-
Curtiss, L.A.1
Frurip, D.J.2
Blander, M.3
-
44
-
-
0002095647
-
-
Reimers, J.; Watts, R.; Klein, M. Chem. Phys. 1982, 64, 95.
-
(1982)
Chem. Phys.
, vol.64
, pp. 95
-
-
Reimers, J.1
Watts, R.2
Klein, M.3
-
46
-
-
36049012912
-
-
MÓ, O.; Yáñez, M.; Elguero, J. J. Chem. Phys. 1992, 97, 6628.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 6628
-
-
Mó, O.1
Yáñez, M.2
Elguero, J.3
-
47
-
-
0035942888
-
-
Vargas, R.; Garza, J.; Friesner, R. A.; Stern, H.; Hay, B. P.; Dixon, D. A. J. Phys. Chem. A 2001, 105, 4963.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 4963
-
-
Vargas, R.1
Garza, J.2
Friesner, R.A.3
Stern, H.4
Hay, B.P.5
Dixon, D.A.6
-
50
-
-
0000493589
-
-
Hobza, P.; Spirko, V.; Havlas, Z.; Buchhold, K.; Reimann, B.; Barth, H.-D.; Brutschy, B. Chem. Phys. Lett 1999, 299, 180-186.
-
(1999)
Chem. Phys. Lett
, vol.299
, pp. 180-186
-
-
Hobza, P.1
Spirko, V.2
Havlas, Z.3
Buchhold, K.4
Reimann, B.5
Barth, H.-D.6
Brutschy, B.7
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