-
7
-
-
0032569184
-
-
Dobado, J. A.; Martínez-García, H.; Molina, J.; Sundberg, M. R. J. Am. Chem. Soc. 1998, 120, 8461.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 8461
-
-
Dobado, J.A.1
Martínez-García, H.2
Molina, J.3
Sundberg, M.R.4
-
14
-
-
0343675942
-
-
See: www.chemistry.mcmaster.ca/faculty/bader/aim.
-
-
-
-
15
-
-
0033531693
-
-
Dobado, J. A.; Martínez-García, H.; Molina, J.; Sundberg, M. R. J. Am. Chem. Soc. 1999, 121, 3156.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 3156
-
-
Dobado, J.A.1
Martínez-García, H.2
Molina, J.3
Sundberg, M.R.4
-
16
-
-
0001268940
-
-
Dobado, J. A.; Martínez-García, H.; Molina, J. Inorg. Chem. 1999, 38, 6257.
-
(1999)
Inorg. Chem.
, vol.38
, pp. 6257
-
-
Dobado, J.A.1
Martínez-García, H.2
Molina, J.3
-
18
-
-
11544291597
-
-
El-Bahraoui, J.; Molina, J.; Portal, D. J. Phys. Chem. A 1998, 102, 2443.
-
(1998)
Phys. Chem. A
, vol.102
, pp. 2443
-
-
El-Bahraoui, J.1
Molina, J.2
Portal, D.J.3
-
19
-
-
33846979189
-
-
Dobado, J. A.; Uggla, R.; Sundberg, M. R.; Molina, J. J. Chem. Soc., Dalton Trans. 1999, 489.
-
(1999)
J. Chem. Soc., Dalton Trans.
, pp. 489
-
-
Dobado, J.A.1
Uggla, R.2
Sundberg, M.R.3
Molina, J.4
-
20
-
-
2542536219
-
-
Navarro, J. A. R.; Romero, M. A.; Salas, J. M.; Quiros, M.; El-Bahraoui, J.; Molina, J. Inorg. Chem. 1996, 35, 7829.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 7829
-
-
Navarro, J.A.R.1
Romero, M.A.2
Salas, J.M.3
Quiros, M.4
El-Bahraoui, J.5
Molina, J.6
-
21
-
-
0000413763
-
-
Bytheway, I.; Gillespie, R. J.; Tang, T.-H.; Bader, R. F. W. Inorg. Chem. 1995, 34, 2407.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 2407
-
-
Bytheway, I.1
Gillespie, R.J.2
Tang, T.-H.3
Bader, R.F.W.4
-
22
-
-
0000687340
-
-
Gillespie, R. J.; Bytheway, I.; Tang, T.-H.; Bader, R. F. W. Inorg. Chem. 1996, 55, 3954.
-
(1996)
Inorg. Chem.
, vol.55
, pp. 3954
-
-
Gillespie, R.J.1
Bytheway, I.2
Tang, T.-H.3
Bader, R.F.W.4
-
25
-
-
0030849737
-
-
Weiss, J.; Stetzkamp, D.; Nuber, B.; Fischer, R. A.; Boehme, C.; Frenking, G. Angew. Chem., Int. Ed. Engl. 1997, 36, 70.
-
(1997)
Angew. Chem., Int. Ed. Engl.
, vol.36
, pp. 70
-
-
Weiss, J.1
Stetzkamp, D.2
Nuber, B.3
Fischer, R.A.4
Boehme, C.5
Frenking, G.6
-
26
-
-
0032542572
-
-
Fischer, R. A.; Schulte, M. M.; Weiss, J.; Zsolnai, L.; Jacobi, A.; Huttner, G.; Frenking, G.; Boehme, C.; Vyboishchikov, S. F. J. Am. Chem. Soc. 1998, 120, 1237.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 1237
-
-
Fischer, R.A.1
Schulte, M.M.2
Weiss, J.3
Zsolnai, L.4
Jacobi, A.5
Huttner, G.6
Frenking, G.7
Boehme, C.8
Vyboishchikov, S.F.9
-
29
-
-
4243356734
-
-
Coffindaffer, T. W.; Rothwell, I. P.; Huffman, J. C. Inorg. Chem. 1983, 22, 2906.
-
(1983)
Inorg. Chem.
, vol.22
, pp. 2906
-
-
Coffindaffer, T.W.1
Rothwell, I.P.2
Huffman, J.C.3
-
30
-
-
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., 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.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A.; Gaussian 98, Revision A.4; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.4
-
-
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., Jr.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..
-
31
-
-
84986513726
-
-
Biegler-König, F. W.; Bader, R. F. W.; Tang, T. H. J. Comput. Chem. 1982, 3, 317.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317
-
-
Biegler-König, F.W.1
Bader, R.F.W.2
Tang, T.H.3
-
32
-
-
0342370810
-
-
The AIMPAC package of programs available at www.chemistry. mcmaster.ca/aimpac.
-
-
-
-
34
-
-
0004097648
-
-
Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO, Version 3.1.
-
NBO, Version 3.1
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
35
-
-
0000756623
-
-
2 structure by considering the similar geometrical descriptions for these compounds using all-electron basis sets and 18-electron effective core potentials: Bader, R. F. W.; Gillespie, R. J.; Marín, F. Chem. Phys. Lett. 1998, 290, 488.
-
(1998)
Chem. Phys. Lett.
, vol.290
, pp. 488
-
-
Bader, R.F.W.1
Gillespie, R.J.2
Marín, F.3
-
36
-
-
0000046848
-
-
Fradera, X.; Austen, M. A.; Bader, R. F. W. J. Phys. Chem. A 1999, 103, 304.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 304
-
-
Fradera, X.1
Austen, M.A.2
Bader, R.F.W.3
-
37
-
-
0342370809
-
-
The formal δ value for a pure ionic bond is zero
-
The formal δ value for a pure ionic bond is zero.
-
-
-
-
39
-
-
0030166214
-
-
The valence basins are characterized by their synaptic order which is the number of core basins with which they share a common boundary. Accordingly, a basin may be mono-, di-, or polysynaptic corresponding to a lone pair, bicentric, or polycentric bonding region, respectively. See: Savin, A.; Silvi, B.; Colonna, F. Can. J. Chem. 1996, 74, 1088.
-
(1996)
Can. J. Chem.
, vol.74
, pp. 1088
-
-
Savin, A.1
Silvi, B.2
Colonna, F.3
-
40
-
-
0343240314
-
-
UMIST, Manchester, England
-
MORPHY98 is a program written by P. L. A. Popelier with a contribution from R. G. A. Bone, UMIST, Manchester, England, 1998.
-
(1998)
-
-
Bone, R.G.A.1
|