-
4
-
-
33751391543
-
-
Landerdale, W.J.; Stanton, J.F.; Bartlett, R.J. J. Phys. Chem. 1992, 96, 1173.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 1173
-
-
Landerdale, W.J.1
Stanton, J.F.2
Bartlett, R.J.3
-
7
-
-
0000351578
-
-
Glukhovtsev, M.N., Jiao, H., Schleyer, P.v.R. Inorg. Chem. 1996, 35, 7124.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 7124
-
-
Glukhovtsev, M.N.1
Jiao, H.2
Schleyer, P.V.R.3
-
9
-
-
0000765998
-
-
Gagliardi, L. Evangelisti, S.; Barone, V.; Roos, B.O. Chem. Phys. Lett. 2000, 320, 518.
-
(2000)
Chem. Phys. Lett.
, vol.320
, pp. 518
-
-
Gagliardi, L.1
Evangelisti, S.2
Barone, V.3
Roos, B.O.4
-
13
-
-
84985595067
-
-
Vogel, A.; Wright R.E.; Kenkley, H. Angew. Chem., Int. Ed. Engl. 1980, 19, 717.
-
(1980)
Angew. Chem., Int. Ed. Engl.
, vol.19
, pp. 717
-
-
Vogel, A.1
Wright, R.E.2
Kenkley, H.3
-
15
-
-
0033549501
-
-
Christe, K.O.; Wilson, W.W.; Sheehy, J.A.; Boatz, J.A. Angew. Chem. 1999, 38, 2004.
-
(1999)
Angew. Chem.
, vol.38
, pp. 2004
-
-
Christe, K.O.1
Wilson, W.W.2
Sheehy, J.A.3
Boatz, J.A.4
-
16
-
-
0001354887
-
-
Xu, W.G.; Li, G.L.; Wang, L.J.; Li, S.; Li, Q.S. Chem. Phys. Lett. 1999, 314, 300.
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 300
-
-
Xu, W.G.1
Li, G.L.2
Wang, L.J.3
Li, S.4
Li, Q.S.5
-
18
-
-
20644466233
-
-
Wang, L.J.; Li, S.; Li, Q.S. Comput. Chem. 2001, 22, 1334.
-
(2001)
Comput. Chem.
, vol.22
, pp. 1334
-
-
Wang, L.J.1
Li, S.2
Li, Q.S.3
-
22
-
-
0000233418
-
-
Zhang, J.; Xu, K.; Amaral, G. Chem. Phys. Lett. 1999, 299, 285.
-
(1999)
Chem. Phys. Lett.
, vol.299
, pp. 285
-
-
Zhang, J.1
Xu, K.2
Amaral, G.3
-
24
-
-
4244134757
-
-
Peters, N.J.S.; Allen, L.C.; Firestone, R.A. Inorg. Chem. 1988, 27, 755.
-
(1988)
Inorg. Chem.
, vol.27
, pp. 755
-
-
Peters, N.J.S.1
Allen, L.C.2
Firestone, R.A.3
-
25
-
-
0000740270
-
-
Christen, D.; Mack, H.G.; Schatte, G.; Willner, H. J. Am. Chem. Soc. 1988, 110, 707.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 707
-
-
Christen, D.1
Mack, H.G.2
Schatte, G.3
Willner, H.4
-
26
-
-
0001108872
-
-
Otto, M.; Lotz, S.D.; Frenking, G. Inorg. Chem. 1992, 31, 3647.
-
(1992)
Inorg. Chem.
, vol.31
, pp. 3647
-
-
Otto, M.1
Lotz, S.D.2
Frenking, G.3
-
27
-
-
0011141710
-
-
Chaban, G.; Yarkoy, D.Y.; Gordon, M.S. J. Chem. Phys. 1995, 133, 7983.
-
(1995)
J. Chem. Phys.
, vol.133
, pp. 7983
-
-
Chaban, G.1
Yarkoy, D.Y.2
Gordon, M.S.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
-
31
-
-
0004283512
-
-
Gaussian, Inc., Pittsburgh, PA
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A.; 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.; Chen, W.; Wong, M.W.; Andres, J.L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussion 98, Revision A. 5, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussion 98, Revision A. 5
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Robb, M.A.4
Cheeseman, J.R.5
Zakrzewski, V.G.6
Montgomery, J.A.7
Stratmann, R.E.8
Burant, J.C.9
Dapprich, S.10
Millam, J.M.11
Daniels, A.D.12
Kudin, K.N.13
Strain, M.C.14
Farkas, O.15
Tomasi, J.16
Barone, V.17
Cossi, M.18
Cammi, R.19
Mennucci, B.20
Pomelli, C.21
Adamo, C.22
Clifford, S.23
Ochterski, J.24
Petersson, G.A.25
Ayala, P.Y.26
Cui, Q.27
Morokuma, K.28
Malick, D.K.29
Rabuck, A.D.30
Raghavachari, K.31
Foresman, J.B.32
Cioslowski, J.33
Ortiz, J.V.34
Stefanov, B.B.35
Liu, G.36
Liashenko, A.37
Piskorz, P.38
Komaromi, I.39
Gomperts, R.40
Martin, R.L.41
Fox, D.J.42
Keith, T.43
Al-Laham, M.A.44
Peng, C.Y.45
Nanayakkara, A.46
Gonzalez, C.47
Challacombe, M.48
Gill, P.M.W.49
Johnson, B.50
Chen, W.51
Wong, M.W.52
Andres, J.L.53
Gonzalez, C.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
32
-
-
33846222166
-
-
Melissas, V.S.; Truhlar, D.G.; Garrett, B.C. J. Chem. Phys. 1992, 96, 5758.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 5758
-
-
Melissas, V.S.1
Truhlar, D.G.2
Garrett, B.C.3
-
37
-
-
0003999445
-
-
Mathematical Chemistry Research, University of Saskatchewan
-
Warburton, P.; Walker, P.D.; Mezey, P.G. Rhocalc 2000 program, Mathematical Chemistry Research, University of Saskatchewan, 2000.
-
(2000)
Rhocalc 2000 program
-
-
Warburton, P.1
Walker, P.D.2
Mezey, P.G.3
-
38
-
-
0001529239
-
-
Brickmann, J.; Keil, M.; Exner, T.E.; Marhöfer, R. J. Mol. Mod. 2000, 6, 328.
-
(2000)
J. Mol. Mod.
, vol.6
, pp. 328
-
-
Brickmann, J.1
Keil, M.2
Exner, T.E.3
Marhöfer, R.4
-
39
-
-
0003313515
-
MOLCAD - Computer aides vizualization and manipulation of models in molecular science
-
Delft, Netherlands
-
Waldherr-Teschner, M.; Goetze, T.; Heiden, W.; Knoblauch, M.; Vollhardt, H.; Brickmann, J. MOLCAD - Computer Aides Vizualization and Manipulation of Models in Molecular Science; Second Eurographics Workshop on Visualization in Scientific Computing, Delft, Netherlands, 1991.
-
(1991)
Second Eurographics Workshop on Visualization in Scientific Computing
-
-
Waldherr-Teschner, M.1
Goetze, T.2
Heiden, W.3
Knoblauch, M.4
Vollhardt, H.5
Brickmann, J.6
-
40
-
-
0002595146
-
-
P.v.R., Allinger, N.C., Clark, T., Gasteiger, J., Kollmann, P.A., Schaefer III, H.F., Schreiner, P.R., Eds.; John Wiley & Sons: Chichester
-
Brickmann, J.; Keil, M.; Exner, T.E.; Marhöfer, R.; Moeckel, G. The Encyclopedia of Computution Chemistry; Schleyer, P.v.R., Allinger, N.C., Clark, T., Gasteiger, J., Kollmann, P.A., Schaefer III, H.F., Schreiner, P.R., Eds.; John Wiley & Sons: Chichester, 1998; p 1679.
-
(1998)
The Encyclopedia of Computution Chemistry; Schleyer
, pp. 1679
-
-
Brickmann, J.1
Keil, M.2
Exner, T.E.3
Marhöfer, R.4
Moeckel, G.5
-
41
-
-
0003926253
-
-
Tripos Inc., 1699 South Hamley Road, St. Louis, MO 63144
-
SYBYL 6.7, Tripos Inc., 1699 South Hamley Road, St. Louis, MO 63144, 2000.
-
(2000)
SYBYL 6.7
-
-
-
42
-
-
0011083314
-
-
Walker, T.E.H.; Dehmer, P.M.; Berkowitz, J. J. Chem. Phys. 1973, 59, 4292.
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 4292
-
-
Walker, T.E.H.1
Dehmer, P.M.2
Berkowitz, J.3
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