-
1
-
-
0000303567
-
-
Crabtree, R. H.; Siegbahn, P. E. M.; Eisenstein, O.; Rheingold, A. L.; Koetzle, T. F. Acc. Chem. Res. 1996, 29, 348. Richardson, T. B.; deGala, S.; Crabtree. R. H.; Siegbahn, P. E. M. J Am. Chem. Soc. 1995, 117, 12875.
-
(1996)
Acc. Chem. Res.
, vol.29
, pp. 348
-
-
Crabtree, R.H.1
Siegbahn, P.E.M.2
Eisenstein, O.3
Rheingold, A.L.4
Koetzle, T.F.5
-
2
-
-
0000538353
-
-
Crabtree, R. H.; Siegbahn, P. E. M.; Eisenstein, O.; Rheingold, A. L.; Koetzle, T. F. Acc. Chem. Res. 1996, 29, 348. Richardson, T. B.; deGala, S.; Crabtree. R. H.; Siegbahn, P. E. M. J Am. Chem. Soc. 1995, 117, 12875.
-
(1995)
J Am. Chem. Soc.
, vol.117
, pp. 12875
-
-
Richardson, T.B.1
DeGala, S.2
Crabtree, R.H.3
Siegbahn, P.E.M.4
-
3
-
-
33748233630
-
-
Wessel, J.; Lee, J. C., Jr.; Peris, E.; Yap, G. P. A.; Fortin, J. B.; Ricci, J. S.; Sini. G.; Albinati, A.; Koetzle, T. F.; Eisenstein, O. Rheingold, A. L.; Crabtree, R. H. Angew. Chem., Int. Ed. Engl. 1995, 32, 2507. Belkova, N. V.; Shubina, E. S.; Ionidis, A. V.; Epstein, L. M.; Jacobsen, H.; Messmer, A.; Berke, H. Inorg. Chem. 1997, 36, 1522.
-
(1995)
Angew. Chem., Int. Ed. Engl.
, vol.32
, pp. 2507
-
-
Wessel, J.1
Lee Jr., J.C.2
Peris, E.3
Yap, G.P.A.4
Fortin, J.B.5
Ricci, J.S.6
Sini, G.7
Albinati, A.8
Koetzle, T.F.9
Eisenstein, O.10
Rheingold, A.L.11
Crabtree, R.H.12
-
4
-
-
33748233630
-
-
Wessel, J.; Lee, J. C., Jr.; Peris, E.; Yap, G. P. A.; Fortin, J. B.; Ricci, J. S.; Sini. G.; Albinati, A.; Koetzle, T. F.; Eisenstein, O. Rheingold, A. L.; Crabtree, R. H. Angew. Chem., Int. Ed. Engl. 1995, 32, 2507. Belkova, N. V.; Shubina, E. S.; Ionidis, A. V.; Epstein, L. M.; Jacobsen, H.; Messmer, A.; Berke, H. Inorg. Chem. 1997, 36, 1522.
-
(1997)
Inorg. Chem.
, vol.36
, pp. 1522
-
-
Belkova, N.V.1
Shubina, E.S.2
Ionidis, A.V.3
Epstein, L.M.4
Jacobsen, H.5
Messmer, A.6
Berke, H.7
-
5
-
-
0000670416
-
-
Lough, A. J.; Park, S.; Ramachandran, R.; Morris, R. H. J. Am. Chem. Soc. 1994, 116, 8356. Lee, J. C., Jr.; Pens, E.; Rheingold, A. L.; Crabtree, R. H. J. Am. Chem. Soc. 1994, 116, 11014.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 8356
-
-
Lough, A.J.1
Park, S.2
Ramachandran, R.3
Morris, R.H.4
-
6
-
-
0141640144
-
-
Lough, A. J.; Park, S.; Ramachandran, R.; Morris, R. H. J. Am. Chem. Soc. 1994, 116, 8356. Lee, J. C., Jr.; Pens, E.; Rheingold, A. L.; Crabtree, R. H. J. Am. Chem. Soc. 1994, 116, 11014.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11014
-
-
Lee Jr., J.C.1
Pens, E.2
Rheingold, A.L.3
Crabtree, R.H.4
-
7
-
-
0031698503
-
-
Orlova, G.; Scheiner, S. J. Phys. Chem. 1998, 102, 260. Peris, E.; Lee, J. C., Jr.; Rambo, J. R.; Eisenstein, O.; Crabtree, R. H. J. Am. Chem. Soc. 1995, 117, 3485.
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 260
-
-
Orlova, G.1
Scheiner, S.2
-
8
-
-
0040190589
-
-
Orlova, G.; Scheiner, S. J. Phys. Chem. 1998, 102, 260. Peris, E.; Lee, J. C., Jr.; Rambo, J. R.; Eisenstein, O.; Crabtree, R. H. J. Am. Chem. Soc. 1995, 117, 3485.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 3485
-
-
Peris, E.1
Lee Jr., J.C.2
Rambo, J.R.3
Eisenstein, O.4
Crabtree, R.H.5
-
11
-
-
84893169025
-
GAMESS
-
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. J.; Windus, T. L.; Dupuis, M.; Montgomery. J. A. GAMESS. J. Comput. Chem. 1993, 14, 1347-1363.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
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.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
12
-
-
0001050530
-
-
Jonas, V.; Thiel, W. J. Chem. Phys. 1996, 105, 3636; 1995, 102, 8474.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 3636
-
-
Jonas, V.1
Thiel, W.2
-
13
-
-
36449005573
-
-
Jonas, V.; Thiel, W. J. Chem. Phys. 1996, 105, 3636; 1995, 102, 8474.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 8474
-
-
-
14
-
-
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. V.; Foresman, J. B.; 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. J. P.; Head-Gordon, M.; Gonzalez, C. and Pople, J. A. Gaussian 94, Revision B.3; Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.3
-
-
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
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
15
-
-
4043086219
-
-
UNIPROP: program developed by Gadre and co-workers at University of Pune, India. See also: Shirsat, R. N.; Bapat. S. V.; Gadre, S. R. Chem. Phys. Lett. 1992, 200, 373. Visualization program UNIVIS developed by Gadre and co-workers at University of Pune, India. See also: Limaye, A. C.; Inamdar, P. V.; Dattawadkar, S. M.; Gadre, S. R. J. Mol. Graphics 1996, 14.
-
(1992)
Chem. Phys. Lett.
, vol.200
, pp. 373
-
-
Shirsat, R.N.1
Bapat, S.V.2
Gadre, S.R.3
-
16
-
-
0342424099
-
-
UNIPROP: program developed by Gadre and co-workers at University of Pune, India. See also: Shirsat, R. N.; Bapat. S. V.; Gadre, S. R. Chem. Phys. Lett. 1992, 200, 373. Visualization program UNIVIS developed by Gadre and co-workers at University of Pune, India. See also: Limaye, A. C.; Inamdar, P. V.; Dattawadkar, S. M.; Gadre, S. R. J. Mol. Graphics 1996, 14.
-
(1996)
J. Mol. Graphics
, pp. 14
-
-
Limaye, A.C.1
Inamdar, P.V.2
Dattawadkar, S.M.3
Gadre, S.R.4
-
17
-
-
84987133653
-
-
Kitaura, K.; Morokuma, K. Int. J. Quantum Chem. 1976, 10, 325. Morokuma, K.; Kitaura, K. In Chemical Applications of Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum: New York, 1981.
-
(1976)
Int. J. Quantum Chem.
, vol.10
, pp. 325
-
-
Kitaura, K.1
Morokuma, K.2
-
18
-
-
84987133653
-
-
Politzer, P., Truhlar, D. G., Eds.; Plenum: New York
-
Kitaura, K.; Morokuma, K. Int. J. Quantum Chem. 1976, 10, 325. Morokuma, K.; Kitaura, K. In Chemical Applications of Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum: New York, 1981.
-
(1981)
Chemical Applications of Electrostatic Potentials
-
-
Morokuma, K.1
Kitaura, K.2
-
19
-
-
5544224636
-
-
Szczesniak, M. M.; Ratajczak, H. Chem. Phys. Lett. 1980, 74, 243. Dill, J. D.; Schleyer, P. v. R.; Binkley, J. S.; Pople, J. A. J. Am. Chem. Soc. 1977, 99, 6159. Atwood, J. L.; Butz, K. W.; Gardiner, M. G.; Jones, C.; Koutsantonis, G. A.; Ratson, C. L.; Robinson, K. D. Inorg. Chem. 1993, 32, 3482.
-
(1980)
Chem. Phys. Lett.
, vol.74
, pp. 243
-
-
Szczesniak, M.M.1
Ratajczak, H.2
-
20
-
-
33847087975
-
-
Szczesniak, M. M.; Ratajczak, H. Chem. Phys. Lett. 1980, 74, 243. Dill, J. D.; Schleyer, P. v. R.; Binkley, J. S.; Pople, J. A. J. Am. Chem. Soc. 1977, 99, 6159. Atwood, J. L.; Butz, K. W.; Gardiner, M. G.; Jones, C.; Koutsantonis, G. A.; Ratson, C. L.; Robinson, K. D. Inorg. Chem. 1993, 32, 3482.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 6159
-
-
Dill, J.D.1
Schleyer, P.V.R.2
Binkley, J.S.3
Pople, J.A.4
-
21
-
-
0041160200
-
-
Szczesniak, M. M.; Ratajczak, H. Chem. Phys. Lett. 1980, 74, 243. Dill, J. D.; Schleyer, P. v. R.; Binkley, J. S.; Pople, J. A. J. Am. Chem. Soc. 1977, 99, 6159. Atwood, J. L.; Butz, K. W.; Gardiner, M. G.; Jones, C.; Koutsantonis, G. A.; Ratson, C. L.; Robinson, K. D. Inorg. Chem. 1993, 32, 3482.
-
(1993)
Inorg. Chem.
, vol.32
, pp. 3482
-
-
Atwood, J.L.1
Butz, K.W.2
Gardiner, M.G.3
Jones, C.4
Koutsantonis, G.A.5
Ratson, C.L.6
Robinson, K.D.7
-
22
-
-
0003914038
-
-
Oxford University Press: Oxford
-
Jeffrey, G. A. An Introduction to Hydrogen Bonding: Oxford University Press: Oxford, 1997. Wells, A. F. Structural Inorganic Chemistry; Oxford University Press: Oxford, 1984.
-
(1997)
An Introduction to Hydrogen Bonding
-
-
Jeffrey, G.A.1
-
23
-
-
0003732720
-
-
Oxford University Press: Oxford
-
Jeffrey, G. A. An Introduction to Hydrogen Bonding: Oxford University Press: Oxford, 1997. Wells, A. F. Structural Inorganic Chemistry; Oxford University Press: Oxford, 1984.
-
(1984)
Structural Inorganic Chemistry
-
-
Wells, A.F.1
-
25
-
-
0004157499
-
-
Clarendon: Oxford
-
Bader, R. F. W. Atoms in Molecules: A Quantum Theory; Clarendon: Oxford, 1990. The critical points of molecular electron density distribution (ED) can be characterized from its rank and signature (excess of positive eigenvalues over negative ones). Thus, maxima are denoted as (3, -3), minima are denoted as (3, +3), and two types of saddles are denoted as (3, -1) and (3, +1). The ED is maximum at the nuclear sites, and a (3, -1) saddle is found between every bonded pair of atoms (called the bond critical point). The presence of ring or cage in the system can be identified from occurrence of the (3, +1) saddle and minimum, respectively, in the ED distribution.
-
(1990)
Atoms in Molecules: A Quantum Theory
-
-
Bader, R.F.W.1
-
26
-
-
0001180452
-
-
Bone, R. G. A.; Bader, R. F. W. J. Phys. Chem. 1996, 100, 10892. Bader, R. F. W.; Essen, H. J. Chem. Phys. 1984, 80, 1943.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 10892
-
-
Bone, R.G.A.1
Bader, R.F.W.2
-
27
-
-
36549095696
-
-
Bone, R. G. A.; Bader, R. F. W. J. Phys. Chem. 1996, 100, 10892. Bader, R. F. W.; Essen, H. J. Chem. Phys. 1984, 80, 1943.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 1943
-
-
Bader, R.F.W.1
Essen, H.2
-
31
-
-
0003824417
-
-
Plenum: New York
-
Chemical Applications of Atomic and Molecular Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum: New York, 1981. Theoretical and Computational Chemistry, Vol. 3-Molecular Electrostatic Potentials: Concepts and Applications; Murray, J. S., Sen, K. D., Eds.; Elsevier: Amsterdam, 1996. Gadre, S. R.; Kulkarni, S. A.; Shrivastava, I. H. J. Chem. Phys. 1992, 96, 5253.
-
(1981)
Chemical Applications of Atomic and Molecular Electrostatic Potentials
, vol.3
-
-
Politzer, P.1
Truhlar, D.G.2
-
32
-
-
0004324838
-
-
Elsevier: Amsterdam
-
Chemical Applications of Atomic and Molecular Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum: New York, 1981. Theoretical and Computational Chemistry, Vol. 3-Molecular Electrostatic Potentials: Concepts and Applications; Murray, J. S., Sen, K. D., Eds.; Elsevier: Amsterdam, 1996. Gadre, S. R.; Kulkarni, S. A.; Shrivastava, I. H. J. Chem. Phys. 1992, 96, 5253.
-
(1996)
Theoretical and Computational Chemistry, Vol. 3-Molecular Electrostatic Potentials: Concepts and Applications
-
-
Murray, J.S.1
Sen, K.D.2
-
33
-
-
36449003171
-
-
Chemical Applications of Atomic and Molecular Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum: New York, 1981. Theoretical and Computational Chemistry, Vol. 3-Molecular Electrostatic Potentials: Concepts and Applications; Murray, J. S., Sen, K. D., Eds.; Elsevier: Amsterdam, 1996. Gadre, S. R.; Kulkarni, S. A.; Shrivastava, I. H. J. Chem. Phys. 1992, 96, 5253.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 5253
-
-
Gadre, S.R.1
Kulkarni, S.A.2
Shrivastava, I.H.3
-
34
-
-
36749116108
-
-
Buckingham, A. D.; Fowler, P. W. J. Chem. Phys. 1983, 79, 6426. Gadre, S. R.; Pundlik, S. S. J. Phys. Chem. 1997, 101, 3298.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 6426
-
-
Buckingham, A.D.1
Fowler, P.W.2
-
35
-
-
0001222071
-
-
Buckingham, A. D.; Fowler, P. W. J. Chem. Phys. 1983, 79, 6426. Gadre, S. R.; Pundlik, S. S. J. Phys. Chem. 1997, 101, 3298.
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 3298
-
-
Gadre, S.R.1
Pundlik, S.S.2
-
37
-
-
0032573865
-
-
Campbell, J. P.; Hwang, J. W.; Young, V. G., Jr.; Von Dreele, R. B.; Cramer, C. J.; Gladfelter, W. L. J. Am. Chem. Soc. 1998, 120, 521.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 521
-
-
Campbell, J.P.1
Hwang, J.W.2
Young Jr., V.G.3
Von Dreele, R.B.4
Cramer, C.J.5
Gladfelter, W.L.6
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