-
2
-
-
85033039415
-
-
note
-
If one could increase the spin angular momentum quantum number for an electron from S = 1/2 to S = 3/2, or in a universe where this was so, there would be four observable spin components. One could construct an antisymmetrized orbital wave function with up to four electrons occupying each space orbital, allowing for the possibility of observing the spatial quadrupling of electrons. The rows of the periodic table would be correspondingly longer and Be would be the first of the inert gases.
-
-
-
-
6
-
-
0011404930
-
-
Bader, R. F. W.; Streitwieser, A.; Neuhaus, A.; Laidis, K. E.; Speers, P. J. Am. Chem. Soc. 1996, 118, 4959.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 4959
-
-
Bader, R.F.W.1
Streitwieser, A.2
Neuhaus, A.3
Laidis, K.E.4
Speers, P.5
-
7
-
-
0347858842
-
-
Bader, R. F. W.; MacDougall, P. J.; Lau, C. D. H. J. Am. Chem. Soc. 1984, 106, 1594.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 1594
-
-
Bader, R.F.W.1
MacDougall, P.J.2
Lau, C.D.H.3
-
8
-
-
33845278207
-
-
Bader, R. F. W.; Gillespie, R. J.; MacDougall, P. J. J. Am. Chem. Soc. 1988, 110, 7329.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 7329
-
-
Bader, R.F.W.1
Gillespie, R.J.2
MacDougall, P.J.3
-
17
-
-
0000285401
-
-
Daudel, R.; Brion, H.; Odiot, S. J. Chem. Phys. 1955, 23, 2080.
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 2080
-
-
Daudel, R.1
Brion, H.2
Odiot, S.3
-
19
-
-
0002448176
-
-
Aslangul, C.; Constanciel, R.; Daudel, R.; Kottis, P. Adv. Quant. Chem. 1972, 6, 93.
-
(1972)
Adv. Quant. Chem.
, vol.6
, pp. 93
-
-
Aslangul, C.1
Constanciel, R.2
Daudel, R.3
Kottis, P.4
-
21
-
-
0001591995
-
-
Daudel, R.; Bader, R. F. W.; Stephens, M. E.; Borrett, D. S. Can. J. Chem. 1974, 52, 1310.
-
(1974)
Can. J. Chem.
, vol.52
, pp. 1310
-
-
Daudel, R.1
Bader, R.F.W.2
Stephens, M.E.3
Borrett, D.S.4
-
24
-
-
33745145494
-
-
(b) Bader, R. F. W.; Popelier, P. L. A.; Keith, T. A. Angew. Chem., Int. Ed. Engl. 1994, 33, 620.
-
(1994)
Angew. Chem., Int. Ed. Engl.
, vol.33
, pp. 620
-
-
Bader, R.F.W.1
Popelier, P.L.A.2
Keith, T.A.3
-
25
-
-
84986513726
-
-
Biegler-König, F. W.; Bader, R. F. W.; Tang, T.-H. J. Comput. Chem. 1982, 3, 317. The most recent version V is available from R. F. W. Bader.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317
-
-
Biegler-König, F.W.1
Bader, R.F.W.2
Tang, T.-H.3
-
26
-
-
84872804460
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; DeFrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN92; Gaussian, Inc.: Pittsburgh, PA, 1992.
-
(1992)
GAUSSIAN92
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
DeFrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
32
-
-
0007939255
-
-
Daudel, R.; Stephens, M. E.; Kapuy, E.; Kozmutza, C. Chem. Phys. Lett. 1976, 40, 194.
-
(1976)
Chem. Phys. Lett.
, vol.40
, pp. 194
-
-
Daudel, R.1
Stephens, M.E.2
Kapuy, E.3
Kozmutza, C.4
-
33
-
-
0000491697
-
-
Bader, R. F. W.; Nguyen-Dana, T. T.; Tal, Y. Rep. Prog. Phys. 1981, 44, 893.
-
(1981)
Rep. Prog. Phys.
, vol.44
, pp. 893
-
-
Bader, R.F.W.1
Nguyen-Dana, T.T.2
Tal, Y.3
-
34
-
-
0002060772
-
-
Liebman, J. F., Greenberg, A., Eds.; VCH Publishers Inc.: New York
-
Bader, R. F. W.; Gillespie, R. J.; MacDougall, P. J. In Molecular Structure and Energetics; Liebman, J. F., Greenberg, A., Eds.; VCH Publishers Inc.: New York, 1989; Vol. 11.
-
(1989)
Molecular Structure and Energetics
, vol.11
-
-
Bader, R.F.W.1
Gillespie, R.J.2
MacDougall, P.J.3
-
38
-
-
0003603208
-
-
Allyn and Bacon and Prentice Hall International: Boston, MA, and London, respectively
-
Gillespie, R. J.; Hargittai, I. The VSEPR Model of Molecular Geometry; Allyn and Bacon and Prentice Hall International: Boston, MA, and London, respectively, 1991.
-
(1991)
The VSEPR Model of Molecular Geometry
-
-
Gillespie, R.J.1
Hargittai, I.2
-
40
-
-
36549102661
-
-
Sagar, R. P.; Ku, A. C.; Smith, V. H.; Sinas, A. M. J. Chem. Phys. 1988, 88, 4367.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 4367
-
-
Sagar, R.P.1
Ku, A.C.2
Smith, V.H.3
Sinas, A.M.4
-
46
-
-
84977309239
-
-
Tsirelson, V.; Zou, P. F.; Tans, T.-H.; Bader, R. F. W. Acta Crystallogr. 1995, A51, 143.
-
(1995)
Acta Crystallogr.
, vol.A51
, pp. 143
-
-
Tsirelson, V.1
Zou, P.F.2
Tans, T.-H.3
Bader, R.F.W.4
-
47
-
-
0001452979
-
-
Aray, Y.; Rosillo, F.; Murgich, J. J. Am. Chem. Soc. 1994, 116, 10639.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10639
-
-
Aray, Y.1
Rosillo, F.2
Murgich, J.3
-
48
-
-
0000899683
-
-
Aray, Y.; Rodriguez, J.; Murgich, J.; Ruette, F. J. Phys. Chem. 1993, 97, 8393.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 8393
-
-
Aray, Y.1
Rodriguez, J.2
Murgich, J.3
Ruette, F.4
-
49
-
-
0000246102
-
-
Tang, T.-H.; Hu, W.-J.; Yan, D.-Y.; Cui, Y.-P. J. Mol. Struct. (Theochem) 1990, 207, 327.
-
(1990)
J. Mol. Struct. (Theochem)
, vol.207
, pp. 327
-
-
Tang, T.-H.1
Hu, W.-J.2
Yan, D.-Y.3
Cui, Y.-P.4
-
50
-
-
33751158529
-
-
Platts, J. A.; Howard, S. T.; Wozniak, K. J. Org. Chem. 1994, 59, 4647.
-
(1994)
J. Org. Chem.
, vol.59
, pp. 4647
-
-
Platts, J.A.1
Howard, S.T.2
Wozniak, K.3
-
51
-
-
84986927480
-
-
Alcamí, M.; Mó, O.; Yán̄ez, M.; Abboud, J.-L. M. J. Phys. Org. Chem. 1991, 4, 177.
-
(1991)
J. Phys. Org. Chem.
, vol.4
, pp. 177
-
-
Alcamí, M.1
Mó, O.2
Yánez, M.3
Abboud, J.-L.M.4
-
54
-
-
0026653140
-
-
Abboud, J.-L. M.; Canada, T.; Homan, H.; Notario, R.; Cativiela, C.; Diaz de Villegas, D.; Bordedé, M. C.; Mo. O.; Yán̄ez, M. J. Am. Chem. Soc. 1992, 114, 4728.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 4728
-
-
Abboud, J.-L.M.1
Canada, T.2
Homan, H.3
Notario, R.4
Cativiela, C.5
Diaz De Villegas, D.6
Bordedé, M.C.7
Mo, O.8
Yánez, M.9
-
55
-
-
84987143395
-
-
Tal, Y.; Bader, R. F. W. Int. J. Quant. Chem., Quant. Chem. Symp. 1978, 12, 153.
-
(1978)
Int. J. Quant. Chem., Quant. Chem. Symp.
, vol.12
, pp. 153
-
-
Tal, Y.1
Bader, R.F.W.2
-
58
-
-
11944274056
-
-
Anderson, M. H.; Ensher, J. R.; Matthew, M. R.; Wieman, C. E.; Cornell, E. A. Science 1995, 269, 198.
-
(1995)
Science
, vol.269
, pp. 198
-
-
Anderson, M.H.1
Ensher, J.R.2
Matthew, M.R.3
Wieman, C.E.4
Cornell, E.A.5
-
59
-
-
33745374559
-
-
(a) Savin, A.; Jepsen, O.; Flad, J.; Andersen, O. K.; Preuss, H.; von Schnering, H. G. Angew. Chem., Int. Ed. Engl. 1992, 31, 187.
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 187
-
-
Savin, A.1
Jepsen, O.2
Flad, J.3
Andersen, O.K.4
Preuss, H.5
Von Schnering, H.G.6
-
60
-
-
33748225339
-
-
(b) Savin, A.; Becke, A. D.; Flad, J.; Nesper, R.; Preuss, H.; von Schnering, H. G. Angew. Chem., Int. Ed. Engl. 1991, 30, 409.
-
(1991)
Angew. Chem., Int. Ed. Engl.
, vol.30
, pp. 409
-
-
Savin, A.1
Becke, A.D.2
Flad, J.3
Nesper, R.4
Preuss, H.5
Von Schnering, H.G.6
-
62
-
-
0003981415
-
-
Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York
-
Mezey, P. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1990; Vol. 1.
-
(1990)
Reviews in Computational Chemistry
, vol.1
-
-
Mezey, P.1
-
63
-
-
84989509384
-
-
Fässler, T. F.; Häusserman, U.; Nesper, R. Chem. Eur. J. 1995, 1, 625.
-
(1995)
Chem. Eur. J.
, vol.1
, pp. 625
-
-
Fässler, T.F.1
Häusserman, U.2
Nesper, R.3
-
64
-
-
0030083713
-
-
Morphy96 with manual by P. L. A. Popelier is available from QCPE; MORPHY 1.0 is available from CPC program library (Queen's University, Belfast: cpc@qub.ac.uk) or from the author (pla@umist.ac.uk). A manual is published in Comput. Phys. Commun. 1996, 93, 212.
-
(1996)
Comput. Phys. Commun.
, vol.93
, pp. 212
-
-
-
65
-
-
0000045208
-
-
The integration technique is described in Mol. Phys. 1996, 87, 1169.
-
(1996)
Mol. Phys.
, vol.87
, pp. 1169
-
-
-
67
-
-
0000318804
-
-
Gillespie, R. J.; Bytheway, I.; DeWitte, R. S.; Bader, R. F. W. Inorg. Chem. 1994, 33, 2115.
-
(1994)
Inorg. Chem.
, vol.33
, pp. 2115
-
-
Gillespie, R.J.1
Bytheway, I.2
DeWitte, R.S.3
Bader, R.F.W.4
-
68
-
-
0000104409
-
-
Carroll, M. T.; Cheeseman, J. R.; Osman, R.; Weinstein, H. J. Phys. Chem. 1989, 93, 5120.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 5120
-
-
Carroll, M.T.1
Cheeseman, J.R.2
Osman, R.3
Weinstein, H.4
-
70
-
-
0000393999
-
-
Bo, C.; Sarasa, J. P.; Poblet, J. M. J. Phys. Chem. 1993, 97, 6362.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 6362
-
-
Bo, C.1
Sarasa, J.P.2
Poblet, J.M.3
-
71
-
-
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
-
72
-
-
0000687340
-
-
Gillespie, R. J.; Bytheway, I.; Tana, T.-H.; Bader, R. F. W. Inorg. Chem. 1996, 35, 3954.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 3954
-
-
Gillespie, R.J.1
Bytheway, I.2
Tana, T.-H.3
Bader, R.F.W.4
-
73
-
-
0039871266
-
-
Kang, S. K.; Tang, H.; Albright, T. A. J. Am. Chem. Soc. 1993, 115, 1971.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 1971
-
-
Kang, S.K.1
Tang, H.2
Albright, T.A.3
-
78
-
-
84985611078
-
-
Cremer, D.; Kraka, E. Angew. Chem., Int. Ed. Engl. 1984, 23, 627.
-
(1984)
Angew. Chem., Int. Ed. Engl.
, vol.23
, pp. 627
-
-
Cremer, D.1
Kraka, E.2
-
79
-
-
0001616807
-
-
Keith, T. A.; Bader, R. F. W.; Aray, Y. Int. J. Quantum Chem. 1996, 57, 183.
-
(1996)
Int. J. Quantum Chem.
, vol.57
, pp. 183
-
-
Keith, T.A.1
Bader, R.F.W.2
Aray, Y.3
|