-
2
-
-
0031977069
-
-
(a) Ehlers, A. W.; Baerends, J.; Bickelhaupt, F. M.; Radius, U. Chem Eur J. 1998, 4, 210.
-
(1998)
Chem Eur J.
, vol.4
, pp. 210
-
-
Ehlers, A.W.1
Baerends, J.2
Bickelhaupt, F.M.3
Radius, U.4
-
3
-
-
0002300512
-
-
(b) Bickelhaupt, F. M.; Radius, U.; Ehlers, A. W.; Hoffmann, R.; Baerends, J. New J. Chem. 1998, 1.
-
(1998)
New J. Chem.
, pp. 1
-
-
Bickelhaupt, F.M.1
Radius, U.2
Ehlers, A.W.3
Hoffmann, R.4
Baerends, J.5
-
5
-
-
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.; Ortíz, 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. P.; Head-Gordon, M.; González, C.; Pople, J. A. Gaussian 94, revision E.2; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision E.2
-
-
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
Ortíz, 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.P.28
Head-Gordon, M.29
González, C.30
Pople, J.A.31
more..
-
8
-
-
0000063078
-
-
Krishnam, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Krishnam, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
10
-
-
0041401966
-
-
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
13
-
-
0004342902
-
-
Glendening, A. E.; Reed, A. E; Carpenter, J. E.; Weinhold, F. NBO, version 3.1.
-
NBO, Version 3.1
-
-
Glendening, A.E.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
14
-
-
85034152349
-
-
Personal communication
-
Weinhold, F. Personal communication.
-
-
-
Weinhold, F.1
-
16
-
-
84986513726
-
-
Bieger-Konig, F. W.; Bader, R. F. W.; Tang, T. H. J. J. Comput. Chem. 1982, 3, 317.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317
-
-
Bieger-Konig, F.W.1
Bader, R.F.W.2
Tang, T.H.J.3
-
17
-
-
3042810353
-
-
and references therein
-
Boldyrev, A. I.; Gonzales, N.; Simons, J. J. Phys. Chem. 1994, 98, 9931 and references therein.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 9931
-
-
Boldyrev, A.I.1
Gonzales, N.2
Simons, J.3
-
18
-
-
84873055189
-
-
John Wiley & Sons: New York
-
Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; John Wiley & Sons: New York, 1986; p 352.
-
(1986)
Ab Initio Molecular Orbital Theory
, pp. 352
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
19
-
-
0041371675
-
-
(a) McKellar, A. R. W.; Bunker, P. R.; Sears, T. J.; Evenson, K. M.; Saykally, R. J.; Langhoff, S. R. J. Chem. Phys. 1983, 79, 5251.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 5251
-
-
McKellar, A.R.W.1
Bunker, P.R.2
Sears, T.J.3
Evenson, K.M.4
Saykally, R.J.5
Langhoff, S.R.6
-
21
-
-
0011044002
-
-
Brugers, P. D.; Holmes, J. L.; Mommers, A. A. J. Am. Chem. Soc. 1985, 107, 1099.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 1099
-
-
Brugers, P.D.1
Holmes, J.L.2
Mommers, A.A.3
-
22
-
-
0000347740
-
-
(a) Samanta, U.; Chakrabarti, P.; Chandrasekhar, J. J. Phys. Chem. A 1998, 102, 8964.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 8964
-
-
Samanta, U.1
Chakrabarti, P.2
Chandrasekhar, J.3
-
24
-
-
0001366751
-
-
Alkorta, I.; Rozas, I.; Elguero, J. Chem. Soc. Rev. 1998, 27, 155.
-
(1998)
Chem. Soc. Rev.
, vol.27
, pp. 155
-
-
Alkorta, I.1
Rozas, I.2
Elguero, J.3
-
25
-
-
0003591704
-
-
Dowden, Hutchinson & Ross, Inc.: Stroudsburg, PA
-
Pearson, R. G. Hard and Soft Acids and Bases; Dowden, Hutchinson & Ross, Inc.: Stroudsburg, PA, 1973. Pearson, R. G. The Influence of the Reagent on Organic Reactivity. In Advances in Linear Free Energy Relationships; Chapman, N. B., Shorter, J., Eds.; Plenum Press: New York, 1972 ; p 281. Ho, T. L. Hard and Soft Acids and Bases Principle in Organic Chemistry; Academic Press: New York, 1977.
-
(1973)
Hard and Soft Acids and Bases
-
-
Pearson, R.G.1
-
26
-
-
0003683686
-
The influence of the reagent on organic reactivity
-
Chapman, N. B., Shorter, J., Eds.; Plenum Press: New York
-
Pearson, R. G. Hard and Soft Acids and Bases; Dowden, Hutchinson & Ross, Inc.: Stroudsburg, PA, 1973. Pearson, R. G. The Influence of the Reagent on Organic Reactivity. In Advances in Linear Free Energy Relationships; Chapman, N. B., Shorter, J., Eds.; Plenum Press: New York, 1972 ; p 281. Ho, T. L. Hard and Soft Acids and Bases Principle in Organic Chemistry; Academic Press: New York, 1977.
-
(1972)
Advances in Linear Free Energy Relationships
, pp. 281
-
-
Pearson, R.G.1
-
27
-
-
0004259435
-
-
Academic Press: New York
-
Pearson, R. G. Hard and Soft Acids and Bases; Dowden, Hutchinson & Ross, Inc.: Stroudsburg, PA, 1973. Pearson, R. G. The Influence of the Reagent on Organic Reactivity. In Advances in Linear Free Energy Relationships; Chapman, N. B., Shorter, J., Eds.; Plenum Press: New York, 1972 ; p 281. Ho, T. L. Hard and Soft Acids and Bases Principle in Organic Chemistry; Academic Press: New York, 1977.
-
(1977)
Hard and Soft Acids and Bases Principle in Organic Chemistry
-
-
Ho, T.L.1
-
31
-
-
0011083499
-
-
Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
32
-
-
0042434872
-
-
Koch, W.; Frenking, G.; Gauss, J.; Cremer, D.; Collins, J. R. J. Am. Chem. Soc. 1987, 5917.
-
(1987)
J. Am. Chem. Soc.
, pp. 5917
-
-
Koch, W.1
Frenking, G.2
Gauss, J.3
Cremer, D.4
Collins, J.R.5
-
33
-
-
0000947367
-
-
Alkorta, I.; Rozas, I.; Elguero, J. J. Phys. Chem. A 1998, 102, 9278.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 9278
-
-
Alkorta, I.1
Rozas, I.2
Elguero, J.3
-
34
-
-
0001191231
-
-
Alcamí, M.; Mó, O.; Yáñez, M.; Abboud, J.-L. M.; Elguero, J. Chem. Phys. Lett. 1990, 172, 471.
-
(1990)
Chem. Phys. Lett.
, vol.172
, pp. 471
-
-
Alcamí, M.1
Mó, O.2
Yáñez, M.3
Abboud, J.-L.M.4
Elguero, J.5
-
36
-
-
0000718891
-
-
(b) Alkorta, I.; Rozas, I.; Elguero, J. Struct. Chem. 1998, 9, 243.
-
(1998)
Struct. Chem.
, vol.9
, pp. 243
-
-
Alkorta, I.1
Rozas, I.2
Elguero, J.3
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