-
1
-
-
5344262698
-
-
Sapse, A. M., Schleyer, P. v. R., Eds.; J. Wiley and Sons: New York, Chapter 1 and references cited therein
-
(a) Streitwieser, A., Jr.; Bachrach, S. M.; Dorigo, A. E.; Schleyer, P. v. R. In Lithium Chemistry; Sapse, A. M., Schleyer, P. v. R., Eds.; J. Wiley and Sons: New York, 1995; Chapter 1 and references cited therein.
-
(1995)
Lithium Chemistry
-
-
Streitwieser Jr., A.1
Bachrach, S.M.2
Dorigo, A.E.3
Schleyer, P.V.R.4
-
2
-
-
5344236344
-
-
Methoden der Organischen Chemie (Houben-Weyl), Hanack, M., Ed.; Thieme: Stuttgart, Germany
-
(b) Lambert, C.; Schleyer, P. v. R. In Carbanionen. Methoden der Organischen Chemie (Houben-Weyl), Band E19d; Hanack, M., Ed.; Thieme: Stuttgart, Germany, 1993.
-
(1993)
Carbanionen
, vol.E19D
-
-
Lambert, C.1
Schleyer, P.V.R.2
-
3
-
-
0001617965
-
-
(c) Lambert, C.; Schleyer, P. v. R. Angew. Chem. 1994, 106, 1187; Angew. Chem., Int. Ed. Engl. 1994, 33, 1129.
-
(1994)
Angew. Chem.
, vol.106
, pp. 1187
-
-
Lambert, C.1
Schleyer, P.V.R.2
-
4
-
-
33748633427
-
-
(c) Lambert, C.; Schleyer, P. v. R. Angew. Chem. 1994, 106, 1187; Angew. Chem., Int. Ed. Engl. 1994, 33, 1129.
-
(1994)
Angew. Chem., Int. Ed. Engl.
, vol.33
, pp. 1129
-
-
-
5
-
-
36148995600
-
-
(a) Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
6
-
-
0011083499
-
-
and references cited therein
-
(b) Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899 and references cited therein.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
8
-
-
0018735678
-
-
(a) Collins, J. B.; Streitwieser, A., Jr.; McKelvey, J. M. J. Comput. Chem. 1979, 3, 79.
-
(1979)
J. Comput. Chem.
, vol.3
, pp. 79
-
-
Collins, J.B.1
Streitwieser Jr., A.2
McKelvey, J.M.3
-
11
-
-
33847798723
-
-
(a) Streitwieser, A., Jr.; Williams, J. W.; Alexandratos, S.; McKelvey, J. M. J. Am. Chem. Soc. 1976, 98, 4778.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 4778
-
-
Streitwieser Jr., A.1
Williams, J.W.2
Alexandratos, S.3
McKelvey, J.M.4
-
15
-
-
0000065730
-
-
Kaufmann, E.; Raghavachari, K.; Reed, A. E.; Schleyer, P. v. R. Organometallics 1988, 7, 1597.
-
(1988)
Organometallics
, vol.7
, pp. 1597
-
-
Kaufmann, E.1
Raghavachari, K.2
Reed, A.E.3
Schleyer, P.V.R.4
-
19
-
-
0000769599
-
-
Sapse, A. M.; Raghavachari, K.; Schleyer, P. v. R.; Kaufmann, E. J. Am. Chem. Soc. 1985, 107, 6483. See also: Rupp, M.; Ahlrichs, R. Theor. Chim. Acta. 1977, 46, 117.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 6483
-
-
Sapse, A.M.1
Raghavachari, K.2
Schleyer, P.V.R.3
Kaufmann, E.4
-
20
-
-
0010873061
-
-
Sapse, A. M.; Raghavachari, K.; Schleyer, P. v. R.; Kaufmann, E. J. Am. Chem. Soc. 1985, 107, 6483. See also: Rupp, M.; Ahlrichs, R. Theor. Chim. Acta. 1977, 46, 117.
-
(1977)
Theor. Chim. Acta
, vol.46
, pp. 117
-
-
Rupp, M.1
Ahlrichs, R.2
-
21
-
-
0001122989
-
-
(a) Graham, G. D.; Marynick, D. S.; Lipscomb, W. N. J. Am. Chem. Soc. 1980, 102, 4572.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 4572
-
-
Graham, G.D.1
Marynick, D.S.2
Lipscomb, W.N.3
-
23
-
-
0040921308
-
-
(a) Günther, H.; Moskau, D.; Bast, P.; Schmalz, D. Angew. Chem. 1987, 99, 1242; Angew. Chem., Int. Ed. Engl. 1987, 26, 1212.
-
(1987)
Angew. Chem.
, vol.99
, pp. 1242
-
-
Günther, H.1
Moskau, D.2
Bast, P.3
Schmalz, D.4
-
24
-
-
84985633276
-
-
(a) Günther, H.; Moskau, D.; Bast, P.; Schmalz, D. Angew. Chem. 1987, 99, 1242; Angew. Chem., Int. Ed. Engl. 1987, 26, 1212.
-
(1987)
Angew. Chem., Int. Ed. Engl.
, vol.26
, pp. 1212
-
-
-
26
-
-
5344239199
-
-
Sapse, A. M., Schleyer, P. v. R., Eds.; Wiley-Interscience: New York, Chapter 5
-
(c) Bauer, W. In Lithium Chemistry; Sapse, A. M., Schleyer, P. v. R., Eds.; Wiley-Interscience: New York, 1995; Chapter 5.
-
(1995)
Lithium Chemistry
-
-
Bauer, W.1
-
33
-
-
0002540271
-
Parallelisation of the Amsterdam Density Functional Program
-
Clementi, E., Corongiu, G., Eds.; STEF: Cagliari, Italy
-
(a) Fonseca Guerra, C.; Visser, O.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Parallelisation of the Amsterdam Density Functional Program. In Methods and Techniques for Computational Chemistry; Clementi, E., Corongiu, G., Eds.; STEF: Cagliari, Italy, 1995; pp 305-395.
-
(1995)
Methods and Techniques for Computational Chemistry
, pp. 305-395
-
-
Fonseca Guerra, C.1
Visser, O.2
Snijders, J.G.3
Te Velde, G.4
Baerends, E.J.5
-
34
-
-
0038023343
-
-
(b) Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
-
(1973)
Chem. Phys.
, vol.2
, pp. 41
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
35
-
-
84987090061
-
-
(c) Baerends, E. J.; Ros, P. Int. J. Quantum Chem., Quantum Chem. Symp. 1978, S12, 169.
-
(1978)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.S12
, pp. 169
-
-
Baerends, E.J.1
Ros, P.2
-
36
-
-
0004124784
-
-
Riele, H. H. J., Dekker, Th. J., van de Vorst, H. A., Eds.; Elsevier: Amsterdam
-
(d) Ravenek, W. In Algorithms and Applications on Vector and Parallel Computers; Riele, H. H. J., Dekker, Th. J., van de Vorst, H. A., Eds.; Elsevier: Amsterdam, 1987.
-
(1987)
Algorithms and Applications on Vector and Parallel Computers
-
-
Ravenek, W.1
-
37
-
-
84990642429
-
-
(e) Boerrigter, P. M.; te Velde, G.; Baerends, E. J. Int. J. Quantum Chem. 1988, 33, 87.
-
(1988)
Int. J. Quantum Chem.
, vol.33
, pp. 87
-
-
Boerrigter, P.M.1
Te Velde, G.2
Baerends, E.J.3
-
39
-
-
49049148107
-
-
(g) Snijders, J. G.; Baerends, E. J.; Vernooijs, P. At. Nucl. Data Tabl. 1982, 26, 483.
-
(1982)
At. Nucl. Data Tabl.
, vol.26
, pp. 483
-
-
Snijders, J.G.1
Baerends, E.J.2
Vernooijs, P.3
-
41
-
-
0000216001
-
-
(i) Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
44
-
-
5944261746
-
-
Erratum: Ibid. 1986, 34, 7406
-
(l) Perdew, J. P. Phys. Rev. B 1986, 33, 8822. Erratum: Ibid. 1986, 34, 7406.
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822
-
-
Perdew, J.P.1
-
46
-
-
0000291884
-
-
(a) Bickelhaupt, F. M.; Nibbering, N. M. M.; van Wezenbeek, E. M.; Baerends, E. J. J. Phys. Chem. 1992, 96, 4864.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 4864
-
-
Bickelhaupt, F.M.1
Nibbering, N.M.M.2
Van Wezenbeek, E.M.3
Baerends, E.J.4
-
50
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
Gaussian 94, Revision C.3: 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, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision C.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
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..
-
51
-
-
0000524360
-
-
(a) Clark, T.; Rohde, C.; Schleyer, P. v. R. Organometallics 1983, 2, 1344.
-
(1983)
Organometallics
, vol.2
, pp. 1344
-
-
Clark, T.1
Rohde, C.2
Schleyer, P.V.R.3
-
52
-
-
5344270793
-
-
(b) Kost, D.; Hlein, J.; Streitwieser, A.; Schriver, G. W. Proc. Natl. Acad. Sci. U.S.A. 1982, 79, 3922.
-
(1982)
Proc. Natl. Acad. Sci. U.S.A.
, vol.79
, pp. 3922
-
-
Kost, D.1
Hlein, J.2
Streitwieser, A.3
Schriver, G.W.4
-
59
-
-
0001441602
-
-
and references cited therein
-
(a) Ogle, C. A.; Huckabee, B. K.; Johnson, H. C., IV; Sims, P. F.; Winslow, S. D.; Pinkerton, A. A. Organometallics 1993, 12, 1960 and references cited therein.
-
(1993)
Organometallics
, vol.12
, pp. 1960
-
-
Ogle, C.A.1
Huckabee, B.K.2
Johnson IV, H.C.3
Sims, P.F.4
Winslow, S.D.5
Pinkerton, A.A.6
-
62
-
-
0040129172
-
-
(a) Guest, M. F.; Hillier, I. H.; Saunders, V. R. J. Organomet. Chem. 1972, 44, 59.
-
(1972)
J. Organomet. Chem.
, vol.44
, pp. 59
-
-
Guest, M.F.1
Hillier, I.H.2
Saunders, V.R.3
-
63
-
-
0002609302
-
-
(b) Baird, N. C.; Barr, R. F.; Datta, R. K. J. Organomet. Chem. 1973, 59, 65.
-
(1973)
J. Organomet. Chem.
, vol.59
, pp. 65
-
-
Baird, N.C.1
Barr, R.F.2
Datta, R.K.3
-
66
-
-
85087248315
-
-
note
-
n systems (counterpoise method) is very small, namely -0.4, -1.1, and -2.8 kcal/mol, and the corresponding charge transfer to lithium of 0.002, 0.003, and 0.006 e is in fact negligible.
-
-
-
-
67
-
-
5344247547
-
-
Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17, Suppl. No. 1.
-
(1988)
J. Phys. Chem. Ref. Data
, vol.17
, Issue.1 SUPPL.
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
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