-
4
-
-
0001453409
-
-
H.-B. Bürgi, K. K. Baldridge, K. Hardcastle, N. L. Frank, P. Gantzel, J. S. Siegel and J. Ziller, Angew. Chem., 1995.107,1575-1577; H.-B. Bürgi, K. K. Baldridge, K. Hardcastle, N. L. Frank, P. Gantzel, J. S. Siegel and J. Ziller, Angew. Chem., Int. Ed., 1995, 34, 1454-1456.
-
(1995)
Angew. Chem.
, vol.107
, pp. 1575-1577
-
-
Bürgi, H.-B.1
Baldridge, K.K.2
Hardcastle, K.3
Frank, N.L.4
Gantzel, P.5
Siegel, J.S.6
Ziller, J.7
-
5
-
-
33748224437
-
-
H.-B. Bürgi, K. K. Baldridge, K. Hardcastle, N. L. Frank, P. Gantzel, J. S. Siegel and J. Ziller, Angew. Chem., 1995.107,1575-1577; H.-B. Bürgi, K. K. Baldridge, K. Hardcastle, N. L. Frank, P. Gantzel, J. S. Siegel and J. Ziller, Angew. Chem., Int. Ed., 1995, 34, 1454-1456.
-
(1995)
Angew. Chem., Int. Ed.
, vol.34
, pp. 1454-1456
-
-
Bürgi, H.-B.1
Baldridge, K.K.2
Hardcastle, K.3
Frank, N.L.4
Gantzel, P.5
Siegel, J.S.6
Ziller, J.7
-
7
-
-
37049143778
-
-
For different views on the Mills-Nixon effects see: (a) W. H. Mills and I. G. Nixon, J. Chem. Soc., 1930, 2510-2524; (b) A. Stanger, J. Am. Chem. Soc., 1991, 113, 8277-8280; (c) K. K. Baldridge and J. S. Siegel, J. Am. Chem. Soc., 1992, 114, 9583-9587; (d) A. Stanger, J. Am. Chem. Soc., 1998, 120, 12034-12040; (e) Z. B. Maksić, M. Eckert-Maksić, O. Mó and M. Yáǹez, Pauling's Legacy-Modern Modelling of the Chemical Bond, eds. Z. B. Maksić and W. J. OrvilleThomas, Elsevier, Amsterdam, The Netherlands, 1999, p. 47; and references cited; (f) A. Stanger and E. Tkachenko, J. Comput. Chem., 2001, 22, 1377-1386 and references cited.
-
(1930)
J. Chem. Soc.
, pp. 2510-2524
-
-
Mills, W.H.1
Nixon, I.G.2
-
8
-
-
0000026440
-
-
For different views on the Mills-Nixon effects see: (a) W. H. Mills and I. G. Nixon, J. Chem. Soc., 1930, 2510-2524; (b) A. Stanger, J. Am. Chem. Soc., 1991, 113, 8277-8280; (c) K. K. Baldridge and J. S. Siegel, J. Am. Chem. Soc., 1992, 114, 9583-9587; (d) A. Stanger, J. Am. Chem. Soc., 1998, 120, 12034-12040; (e) Z. B. Maksić, M. Eckert-Maksić, O. Mó and M. Yáǹez, Pauling's Legacy-Modern Modelling of the Chemical Bond, eds. Z. B. Maksić and W. J. OrvilleThomas, Elsevier, Amsterdam, The Netherlands, 1999, p. 47; and references cited; (f) A. Stanger and E. Tkachenko, J. Comput. Chem., 2001, 22, 1377-1386 and references cited.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 8277-8280
-
-
Stanger, A.1
-
9
-
-
0001033243
-
-
For different views on the Mills-Nixon effects see: (a) W. H. Mills and I. G. Nixon, J. Chem. Soc., 1930, 2510-2524; (b) A. Stanger, J. Am. Chem. Soc., 1991, 113, 8277-8280; (c) K. K. Baldridge and J. S. Siegel, J. Am. Chem. Soc., 1992, 114, 9583-9587; (d) A. Stanger, J. Am. Chem. Soc., 1998, 120, 12034-12040; (e) Z. B. Maksić, M. Eckert-Maksić, O. Mó and M. Yáǹez, Pauling's Legacy-Modern Modelling of the Chemical Bond, eds. Z. B. Maksić and W. J. OrvilleThomas, Elsevier, Amsterdam, The Netherlands, 1999, p. 47; and references cited; (f) A. Stanger and E. Tkachenko, J. Comput. Chem., 2001, 22, 1377-1386 and references cited.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 9583-9587
-
-
Baldridge, K.K.1
Siegel, J.S.2
-
10
-
-
0032567142
-
-
For different views on the Mills-Nixon effects see: (a) W. H. Mills and I. G. Nixon, J. Chem. Soc., 1930, 2510-2524; (b) A. Stanger, J. Am. Chem. Soc., 1991, 113, 8277-8280; (c) K. K. Baldridge and J. S. Siegel, J. Am. Chem. Soc., 1992, 114, 9583-9587; (d) A. Stanger, J. Am. Chem. Soc., 1998, 120, 12034-12040; (e) Z. B. Maksić, M. Eckert-Maksić, O. Mó and M. Yáǹez, Pauling's Legacy-Modern Modelling of the Chemical Bond, eds. Z. B. Maksić and W. J. OrvilleThomas, Elsevier, Amsterdam, The Netherlands, 1999, p. 47; and references cited; (f) A. Stanger and E. Tkachenko, J. Comput. Chem., 2001, 22, 1377-1386 and references cited.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 12034-12040
-
-
Stanger, A.1
-
11
-
-
77956713141
-
-
eds. Z. B. Maksić and W. J. OrvilleThomas, Elsevier, Amsterdam, The Netherlands, and references cited
-
For different views on the Mills-Nixon effects see: (a) W. H. Mills and I. G. Nixon, J. Chem. Soc., 1930, 2510-2524; (b) A. Stanger, J. Am. Chem. Soc., 1991, 113, 8277-8280; (c) K. K. Baldridge and J. S. Siegel, J. Am. Chem. Soc., 1992, 114, 9583-9587; (d) A. Stanger, J. Am. Chem. Soc., 1998, 120, 12034-12040; (e) Z. B. Maksić, M. Eckert-Maksić, O. Mó and M. Yáǹez, Pauling's Legacy-Modern Modelling of the Chemical Bond, eds. Z. B. Maksić and W. J. OrvilleThomas, Elsevier, Amsterdam, The Netherlands, 1999, p. 47; and references cited; (f) A. Stanger and E. Tkachenko, J. Comput. Chem., 2001, 22, 1377-1386 and references cited.
-
(1999)
Pauling's Legacy-modern Modelling of the Chemical Bond
, pp. 47
-
-
Maksić, Z.B.1
Eckert-Maksić, M.2
Mó, O.3
Yáǹez, M.4
-
12
-
-
0035478110
-
-
and references cited
-
For different views on the Mills-Nixon effects see: (a) W. H. Mills and I. G. Nixon, J. Chem. Soc., 1930, 2510-2524; (b) A. Stanger, J. Am. Chem. Soc., 1991, 113, 8277-8280; (c) K. K. Baldridge and J. S. Siegel, J. Am. Chem. Soc., 1992, 114, 9583-9587; (d) A. Stanger, J. Am. Chem. Soc., 1998, 120, 12034-12040; (e) Z. B. Maksić, M. Eckert-Maksić, O. Mó and M. Yáǹez, Pauling's Legacy-Modern Modelling of the Chemical Bond, eds. Z. B. Maksić and W. J. OrvilleThomas, Elsevier, Amsterdam, The Netherlands, 1999, p. 47; and references cited; (f) A. Stanger and E. Tkachenko, J. Comput. Chem., 2001, 22, 1377-1386 and references cited.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 1377-1386
-
-
Stanger, A.1
Tkachenko, E.2
-
13
-
-
0035929955
-
-
P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, A. Soncini and E. Steiner, Chem. Commun., 2001, 2386-2387.
-
(2001)
Chem. Commun.
, pp. 2386-2387
-
-
Fowler, P.W.1
Havenith, R.W.A.2
Jenneskens, L.W.3
Soncini, A.4
Steiner, E.5
-
14
-
-
0037012742
-
-
P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, A. Soncini and E. Steiner, Angew. Chem., 2002, 114, 1628-1630; P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, A. Soncini and E. Steiner, Angew. Chem., Int. Ed., 2002, 41, 1558-1560.
-
(2002)
Angew. Chem.
, vol.114
, pp. 1628-1630
-
-
Fowler, P.W.1
Havenith, R.W.A.2
Jenneskens, L.W.3
Soncini, A.4
Steiner, E.5
-
15
-
-
0037012742
-
-
P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, A. Soncini and E. Steiner, Angew. Chem., 2002, 114, 1628-1630; P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, A. Soncini and E. Steiner, Angew. Chem., Int. Ed., 2002, 41, 1558-1560.
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 1558-1560
-
-
Fowler, P.W.1
Havenith, R.W.A.2
Jenneskens, L.W.3
Soncini, A.4
Steiner, E.5
-
16
-
-
0037067527
-
-
A. Soncini, R. W. A. Havenith, P. W. Fowler, L. W. Jenneskens and E. Steiner, J. Org. Chem., 2002, 67, 4753-4758.
-
(2002)
J. Org. Chem.
, vol.67
, pp. 4753-4758
-
-
Soncini, A.1
Havenith, R.W.A.2
Fowler, P.W.3
Jenneskens, L.W.4
Steiner, E.5
-
17
-
-
0037420980
-
-
and references cited
-
R. W. A. Havenith, L. W. Jenneskens and P. W. Fowler, Chem, Phys. Lett., 2003, 367, 468-474 and references cited.
-
(2003)
Chem, Phys. Lett.
, vol.367
, pp. 468-474
-
-
Havenith, R.W.A.1
Jenneskens, L.W.2
Fowler, P.W.3
-
18
-
-
0001713444
-
-
R. Faust, E. D. Glendening, A. Streitwieser and K. P. C. Vollhardt, J. Am. Chem. Soc., 1992, 114, 8263-8268.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8263-8268
-
-
Faust, R.1
Glendening, E.D.2
Streitwieser, A.3
Vollhardt, K.P.C.4
-
19
-
-
0001026439
-
-
J. M. Schulman, R. L. Disch, H. Jiao and P. von R. Schleyer, J. Phys. Chem. A, 1998, 102, 8051-8055.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 8051-8055
-
-
Schulman, J.M.1
Disch, R.L.2
Jiao, H.3
Von Schleyer, P.R.4
-
20
-
-
0003689963
-
GAMESS-UK
-
a package of ab initia, programs, 2002, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy, I. H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrison, A. P. Rendell, V. R. Saunders, A. J. Stone, D. J. Tozer, A. H. de Vries. It is derived from the original GAMESS code due to M. Dupuis, D. Spangler, J. Wendolowski, Program No. QG01 (GAMESS)
-
M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schöffel, P. Sherwood, R. J. Harrison, GAMESS-UK, a package of ab initia, programs, 2002, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy, I. H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrison, A. P. Rendell, V. R. Saunders, A. J. Stone, D. J. Tozer, A. H. de Vries. It is derived from the original GAMESS code due to M. Dupuis, D. Spangler, J. Wendolowski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980.
-
(1980)
NRCC Software Catalog
, vol.1
-
-
Guest, M.F.1
Van Lenthe, J.H.2
Kendrick, J.3
Schöffel, K.4
Sherwood, P.5
Harrison, R.J.6
-
22
-
-
0000197433
-
-
A. Keith and R. F. W. Bader, Chem. Phys. Lett., 1993, 210, 223-231; A. Keith and R. F. W. Bader, J. Chem. Phys., 1993, 99, 3669-3682; S. Coriani, P. Lazzeretti, M. Malagoli and R. Zanasi, Theor. Chim. Acta, 1994, 89, 181-192; R. Zanasi, J. Chem. Phys., 1996, 105, 1460-1469.
-
(1993)
Chem. Phys. Lett.
, vol.210
, pp. 223-231
-
-
Keith, A.1
Bader, R.F.W.2
-
23
-
-
36449008552
-
-
A. Keith and R. F. W. Bader, Chem. Phys. Lett., 1993, 210, 223-231; A. Keith and R. F. W. Bader, J. Chem. Phys., 1993, 99, 3669-3682; S. Coriani, P. Lazzeretti, M. Malagoli and R. Zanasi, Theor. Chim. Acta, 1994, 89, 181-192; R. Zanasi, J. Chem. Phys., 1996, 105, 1460-1469.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 3669-3682
-
-
Keith, A.1
Bader, R.F.W.2
-
24
-
-
0001560524
-
-
A. Keith and R. F. W. Bader, Chem. Phys. Lett., 1993, 210, 223-231; A. Keith and R. F. W. Bader, J. Chem. Phys., 1993, 99, 3669-3682; S. Coriani, P. Lazzeretti, M. Malagoli and R. Zanasi, Theor. Chim. Acta, 1994, 89, 181-192; R. Zanasi, J. Chem. Phys., 1996, 105, 1460-1469.
-
(1994)
Theor. Chim. Acta
, vol.89
, pp. 181-192
-
-
Coriani, S.1
Lazzeretti, P.2
Malagoli, M.3
Zanasi, R.4
-
25
-
-
0000043532
-
-
A. Keith and R. F. W. Bader, Chem. Phys. Lett., 1993, 210, 223-231; A. Keith and R. F. W. Bader, J. Chem. Phys., 1993, 99, 3669-3682; S. Coriani, P. Lazzeretti, M. Malagoli and R. Zanasi, Theor. Chim. Acta, 1994, 89, 181-192; R. Zanasi, J. Chem. Phys., 1996, 105, 1460-1469.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1460-1469
-
-
Zanasi, R.1
-
26
-
-
0004237819
-
-
with additional routines for evaluation and plotting of current density by E. Steiner, P. W. Fowler (Univ. of Exeter, UK), unpublished results
-
P. Lazzeretti, R. Zanasi, SYSMO package (University of Modena), 1980, with additional routines for evaluation and plotting of current density by E. Steiner, P. W. Fowler (Univ. of Exeter, UK), unpublished results.
-
(1980)
SYSMO Package (University of Modena)
-
-
Lazzeretti, P.1
Zanasi, R.2
|