-
3
-
-
0030218597
-
-
Kohn, W.; Becke, A. D.; Parr, R. G. J. Phys. Chem. 1996, 100, 12974.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 12974
-
-
Kohn, W.1
Becke, A.D.2
Parr, R.G.3
-
4
-
-
0002319783
-
-
Ernzerhof, M.; Perdew, J. P.; Burke, K. Top. Curr. Chem. 1996, 180, 1.
-
(1996)
Top. Curr. Chem.
, vol.180
, pp. 1
-
-
Ernzerhof, M.1
Perdew, J.P.2
Burke, K.3
-
5
-
-
0003849474
-
-
Seminario J. M., Ed.; Elsevier: Amsterdam
-
Ernzerhof, M.; Burke, K.; Perdew, J. P. In Recent Developments in Density Functional Theory, Theoretical and Computational Chemistry; Seminario J. M., Ed.; Elsevier: Amsterdam, 1996.
-
(1996)
Recent Developments in Density Functional Theory, Theoretical and Computational Chemistry
-
-
Ernzerhof, M.1
Burke, K.2
Perdew, J.P.3
-
8
-
-
11744378733
-
-
Laasonen, K.; Csajka, F.; Parrinello, M. Chem. Phys. Lett. 1992, 194, 192.
-
(1992)
Chem. Phys. Lett.
, vol.194
, pp. 192
-
-
Laasonen, K.1
Csajka, F.2
Parrinello, M.3
-
9
-
-
0000277156
-
-
Laasonen, K.; Parrinello, M.; Car, R.; Lee C.; Vanderbilt, D. Chem. Phys. Lett. 1993, 207, 208.
-
(1993)
Chem. Phys. Lett.
, vol.207
, pp. 208
-
-
Laasonen, K.1
Parrinello, M.2
Car, R.3
Lee, C.4
Vanderbilt, D.5
-
10
-
-
0001042824
-
-
Sim, F.; St-Amant, A.; Papai, L; Salahub, D. R. J. Am. Chem. Soc. 1992, 114, 4391.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 4391
-
-
Sim, F.1
St-Amant, A.2
Papai, L.3
Salahub, D.R.4
-
12
-
-
0342579116
-
-
Lee, C.; Chen, H.; Fitzgerald, G. J. Chem. Phys. 1995, 102, 1266.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 1266
-
-
Lee, C.1
Chen, H.2
Fitzgerald, G.3
-
13
-
-
33749410199
-
-
Estrin, D. A.; Paglieri, L.; Corongiu, G.; Clementi, E. J. Phys. Chem. 1996, 100, 8701.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 8701
-
-
Estrin, D.A.1
Paglieri, L.2
Corongiu, G.3
Clementi, E.4
-
15
-
-
0031075624
-
-
Lozynski, M.; Rusinska-Roszak, D.; Mack, H.-G. J. Phys. Chem. A 1997, 101, 1542.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 1542
-
-
Lozynski, M.1
Rusinska-Roszak, D.2
Mack, H.-G.3
-
17
-
-
0001097440
-
-
Reiling, S.; Brickmann J.; Schlenkrich, M.; Bopp, P. A. J. Comput. Chem. 1996, 17, 133.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 133
-
-
Reiling, S.1
Brickmann, J.2
Schlenkrich, M.3
Bopp, P.A.4
-
18
-
-
5244225043
-
-
Csonka, G. I.; Elias, K.; Csizmadia, I. G. J. Comput. Chem. 1996, 18, 330.
-
(1996)
J. Comput. Chem.
, vol.18
, pp. 330
-
-
Csonka, G.I.1
Elias, K.2
Csizmadia, I.G.3
-
19
-
-
0030593397
-
-
Csonka, G. I.: Elias, K.; Csizmadia, I. G. Chem. Phys. Lett. 1996, 257, 49.
-
(1996)
Chem. Phys. Lett.
, vol.257
, pp. 49
-
-
Csonka, G.I.1
Elias, K.2
Csizmadia, I.G.3
-
20
-
-
0028862775
-
-
Barrows, S. E.; Dulles, F. J.; Cramer, C. J.; French, A. D.; Truhlar, D. G. Carbohydr. Res. 1995, 276, 219.
-
(1995)
Carbohydr. Res.
, vol.276
, pp. 219
-
-
Barrows, S.E.1
Dulles, F.J.2
Cramer, C.J.3
French, A.D.4
Truhlar, D.G.5
-
21
-
-
84962359023
-
-
Ventura, O. N.; Lledos, A.; Bonaccorsi, R.; Bertran, J.: Tomasi, J. Theor. Chim. Acta 1987, 72, 175.
-
(1987)
Theor. Chim. Acta
, vol.72
, pp. 175
-
-
Ventura, O.N.1
Lledos, A.2
Bonaccorsi, R.3
Bertran, J.4
Tomasi, J.5
-
22
-
-
5244341892
-
-
Lee, D.; Kim, C. K.; Lee, B. S.; Lee, I.; Lee, B. C. J. Comput. Chem. 1997, 18, 56.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 56
-
-
Lee, D.1
Kim, C.K.2
Lee, B.S.3
Lee, I.4
Lee, B.C.5
-
24
-
-
0029820807
-
-
Neville, J. J.; Zheng, Y.; Brion, C. E. J. Am. Chem. Soc. 1996, 118, 10533.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10533
-
-
Neville, J.J.1
Zheng, Y.2
Brion, C.E.3
-
25
-
-
0042804580
-
-
Ha, T. K.; Makarewicz, J.; Bauder, A. J. Phys. Chem. 1993, 97, 11415.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 11415
-
-
Ha, T.K.1
Makarewicz, J.2
Bauder, A.3
-
27
-
-
0010922186
-
-
Gaussian: 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. 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. P.; Head-Gordon, M.; Gonzalez, C.; Pople J. A. Gaussian 94, Revision D.1, Gaussian: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision D.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.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
-
-
0003294008
-
Conformational Analysis of Cyclohexenes
-
Rabideau, P. W., Ed.; VCH: New York
-
Anet, F. A. L. Conformational Analysis of Cyclohexenes In Conformational Analysis of Cyclohexenes, Cyclohexadienes and Related Hydroaromatic Compounds; Rabideau, P. W., Ed.; VCH: New York, 1989; p 1.
-
(1989)
Conformational Analysis of Cyclohexenes, Cyclohexadienes and Related Hydroaromatic Compounds
, pp. 1
-
-
Anet, F.A.L.1
-
36
-
-
6344263889
-
-
Turecek, F.; Brabec, L.; Korvola, J. J. Am. Chem. Soc. 1988, 110, 7984.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 7984
-
-
Turecek, F.1
Brabec, L.2
Korvola, J.3
-
38
-
-
0006984137
-
-
Gonzales, L.; Mo, O.; Yanez, M.; Elguero J. J. Mol.-Struct. (THEOCHEM) 1996, 371, 1.
-
(1996)
J. Mol.-Struct. (THEOCHEM)
, vol.371
, pp. 1
-
-
Gonzales, L.1
Mo, O.2
Yanez, M.3
Elguero, J.4
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