-
3
-
-
36749119995
-
-
A.C. Legon, P.D. Aldrich, W.H. Flygare, J. Chem. Phys. 75 (1981) 625; P.D. Aldrich, A. C. Legon, W. H. Flygare, J. Chem. Phys. 75 (1981) 2126.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 625
-
-
Legon, A.C.1
Aldrich, P.D.2
Flygare, W.H.3
-
4
-
-
0000305378
-
-
A.C. Legon, P.D. Aldrich, W.H. Flygare, J. Chem. Phys. 75 (1981) 625; P.D. Aldrich, A. C. Legon, W. H. Flygare, J. Chem. Phys. 75 (1981) 2126.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 2126
-
-
Aldrich, P.D.1
Legon, A.C.2
Flygare, W.H.3
-
7
-
-
0001479256
-
-
Z. Kisiel, P.W. Fowler, A.C. Legon, D. Devanne, P. Dixneuf, J. Chem. Phys. 93 (1990) 6249; Z. Kisiel, P.W. Fowler, A.C. Legon, Chem. Phys. Lett. 176 (1991) 446.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 6249
-
-
Kisiel, Z.1
Fowler, P.W.2
Legon, A.C.3
Devanne, D.4
Dixneuf, P.5
-
8
-
-
0000813828
-
-
Z. Kisiel, P.W. Fowler, A.C. Legon, D. Devanne, P. Dixneuf, J. Chem. Phys. 93 (1990) 6249; Z. Kisiel, P.W. Fowler, A.C. Legon, Chem. Phys. Lett. 176 (1991) 446.
-
(1991)
Chem. Phys. Lett.
, vol.176
, pp. 446
-
-
Kisiel, Z.1
Fowler, P.W.2
Legon, A.C.3
-
13
-
-
0000262333
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 319.
-
(1990)
J. Mol. Struct. (Theochem)
, vol.207
, pp. 319
-
-
Tang, T.-H.1
Hu, W.-J.2
Yan, D.-Y.3
Cui, Y.-P.4
-
15
-
-
0345401784
-
-
R.F.W. Bader, Chem. Rev. 91 (1991) 893; Atoms in Molecules: A Quantum Theory, Clarendon Press, Oxford, 1990.
-
(1991)
Chem. Rev.
, vol.91
, pp. 893
-
-
Bader, R.F.W.1
-
16
-
-
0345401784
-
-
Clarendon Press, Oxford
-
R.F.W. Bader, Chem. Rev. 91 (1991) 893; Atoms in Molecules: A Quantum Theory, Clarendon Press, Oxford, 1990.
-
(1990)
Atoms in Molecules: A Quantum Theory
-
-
-
17
-
-
0001303810
-
-
L.W. Buxton, P.D. Aldrich, J.A. Shea, A.C. Legon, W.H. Flygare, J. Chem. Phys. 75 (1981) 2681; A.C. Legon, P.D. Aldrich, W.H. Flygare, J. Am. Chem. Soc. 104 (1982) 1486.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 2681
-
-
Buxton, L.W.1
Aldrich, P.D.2
Shea, J.A.3
Legon, A.C.4
Flygare, W.H.5
-
18
-
-
0000963776
-
-
L.W. Buxton, P.D. Aldrich, J.A. Shea, A.C. Legon, W.H. Flygare, J. Chem. Phys. 75 (1981) 2681; A.C. Legon, P.D. Aldrich, W.H. Flygare, J. Am. Chem. Soc. 104 (1982) 1486.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 1486
-
-
Legon, A.C.1
Aldrich, P.D.2
Flygare, W.H.3
-
20
-
-
84957128822
-
-
M.J.S. Dewar, Bull. Soc. Chim. Belg. 88 (1979) 957; M.J.S. Dewar, M.L. McKee, Pure Appl. Chem. 52 (1980) 1431; M.J.S. Dewar, J. Am. Chem. Soc. 106 (1984) 669.
-
(1979)
Bull. Soc. Chim. Belg.
, vol.88
, pp. 957
-
-
Dewar, M.J.S.1
-
21
-
-
0001763283
-
-
M.J.S. Dewar, Bull. Soc. Chim. Belg. 88 (1979) 957; M.J.S. Dewar, M.L. McKee, Pure Appl. Chem. 52 (1980) 1431; M.J.S. Dewar, J. Am. Chem. Soc. 106 (1984) 669.
-
(1980)
Pure Appl. Chem.
, vol.52
, pp. 1431
-
-
Dewar, M.J.S.1
McKee, M.L.2
-
22
-
-
0021757419
-
-
M.J.S. Dewar, Bull. Soc. Chim. Belg. 88 (1979) 957; M.J.S. Dewar, M.L. McKee, Pure Appl. Chem. 52 (1980) 1431; M.J.S. Dewar, J. Am. Chem. Soc. 106 (1984) 669.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 669
-
-
Dewar, M.J.S.1
-
23
-
-
0000961089
-
-
D. Cremer, J. Gauss, J. Am. Chem. Soc. 108 (1986) 7467; D. Cremer, Tetrahedron 44 (1988) 7427; E. Kraka, D. Cremer, in: Z.B. Maksić (Ed.), The Concept of the Chemical Bond, Theoretical Models of Chemical Bonding, Part 2, Springer- Verlag, Berlin, 1990, p. 453.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 7467
-
-
Cremer, D.1
Gauss, J.2
-
24
-
-
0001224658
-
-
D. Cremer, J. Gauss, J. Am. Chem. Soc. 108 (1986) 7467; D. Cremer, Tetrahedron 44 (1988) 7427; E. Kraka, D. Cremer, in: Z.B. Maksić (Ed.), The Concept of the Chemical Bond, Theoretical Models of Chemical Bonding, Part 2, Springer- Verlag, Berlin, 1990, p. 453.
-
(1988)
Tetrahedron
, vol.44
, pp. 7427
-
-
Cremer, D.1
-
25
-
-
0000961089
-
-
Z.B. Maksić (Ed.), Springer-Verlag, Berlin
-
D. Cremer, J. Gauss, J. Am. Chem. Soc. 108 (1986) 7467; D. Cremer, Tetrahedron 44 (1988) 7427; E. Kraka, D. Cremer, in: Z.B. Maksić (Ed.), The Concept of the Chemical Bond, Theoretical Models of Chemical Bonding, Part 2, Springer-Verlag, Berlin, 1990, p. 453.
-
(1990)
The Concept of the Chemical Bond, Theoretical Models of Chemical Bonding
, Issue.2 PART
, pp. 453
-
-
Kraka, E.1
Cremer, D.2
-
26
-
-
0000358345
-
-
G. Maier, S. Pfriem, U. Schaefer, R. Matush, Angew. Chem. 90 (1978) 552; E. Heibronner, T.B. Jones, A. Krebs, G. Maier, K. Malsch, J. Rookligton, J. Schmelzer, J. Am. Chem. Soc. 102 (1980) 564.
-
(1978)
Angew. Chem.
, vol.90
, pp. 552
-
-
Maier, G.1
Pfriem, S.2
Schaefer, U.3
Matush, R.4
-
27
-
-
0038614474
-
-
G. Maier, S. Pfriem, U. Schaefer, R. Matush, Angew. Chem. 90 (1978) 552; E. Heibronner, T.B. Jones, A. Krebs, G. Maier, K. Malsch, J. Rookligton, J. Schmelzer, J. Am. Chem. Soc. 102 (1980) 564.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 564
-
-
Heibronner, E.1
Jones, T.B.2
Krebs, A.3
Maier, G.4
Malsch, K.5
Rookligton, J.6
Schmelzer, J.7
-
28
-
-
10644250257
-
-
P. Hohenberg, W. Kohn, Phys. Rev. B 135 (1964) 864; W. Kohn, L.J. Sham, Phys. Rev. A 140 (1965) 1133; R.G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
-
(1964)
Phys. Rev. B
, vol.135
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
29
-
-
0042113153
-
-
P. Hohenberg, W. Kohn, Phys. Rev. B 135 (1964) 864; W. Kohn, L.J. Sham, Phys. Rev. A 140 (1965) 1133; R.G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
-
(1965)
Phys. Rev. A
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
30
-
-
10644250257
-
-
Oxford University Press, New York
-
P. Hohenberg, W. Kohn, Phys. Rev. B 135 (1964) 864; W. Kohn, L.J. Sham, Phys. Rev. A 140 (1965) 1133; R.G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
-
(1989)
Density-Functional Theory of Atoms and Molecules
-
-
Parr, R.G.1
Yang, W.2
-
33
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, 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
Peterson, 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.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
34
-
-
0020091097
-
-
R.F.W. Bader, T.-H. Tang, Y. Tal, F.W. Biegler-König, J. Am. Chem. Soc. 104 (1982) 946.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 946
-
-
Bader, R.F.W.1
Tang, T.-H.2
Tal, Y.3
Biegler-König, F.W.4
-
37
-
-
0001055486
-
-
Z. Shi, R.J. Boyd, J. Phys. Chem. 95 (1991) 4698; T. Slee, R.F.W. Bader, J. Mol. Struct. (Theochem) 255 (1992) 173; Z. Shi, R.J. Boyd, J. Am. Chem. Soc. 115 (1993) 9614.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 4698
-
-
Shi, Z.1
Boyd, R.J.2
-
38
-
-
0346749898
-
-
Z. Shi, R.J. Boyd, J. Phys. Chem. 95 (1991) 4698; T. Slee, R.F.W. Bader, J. Mol. Struct. (Theochem) 255 (1992) 173; Z. Shi, R.J. Boyd, J. Am. Chem. Soc. 115 (1993) 9614.
-
(1992)
J. Mol. Struct. (Theochem)
, vol.255
, pp. 173
-
-
Slee, T.1
Bader, R.F.W.2
-
39
-
-
0000414644
-
-
Z. Shi, R.J. Boyd, J. Phys. Chem. 95 (1991) 4698; T. Slee, R.F.W. Bader, J. Mol. Struct. (Theochem) 255 (1992) 173; Z. Shi, R.J. Boyd, J. Am. Chem. Soc. 115 (1993) 9614.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 9614
-
-
Shi, Z.1
Boyd, R.J.2
-
40
-
-
0000246102
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(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
-
41
-
-
33751158529
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(1994)
J. Org. Chem.
, vol.59
, pp. 4647
-
-
Platts, J.A.1
Howard, S.T.2
Wozniak, K.3
-
42
-
-
15844414021
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 9027
-
-
Howard, S.T.1
Platts, J.A.2
-
43
-
-
0027096342
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 2434
-
-
Tang, T.-H.1
Whitefield, D.M.2
Douglas, S.P.3
Krepinsky, J.J.4
Csizmadia, I.G.5
-
44
-
-
0000246102
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(1993)
Can. J. Chem.
, vol.72
, pp. 1803
-
-
Tang, T.-H.1
Whitefield, D.M.2
Douglas, S.P.3
Krepinsky, J.J.4
Csizmadia, I.G.5
-
45
-
-
0001174922
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 9648
-
-
Whitefield, D.M.1
Tang, T.-H.2
-
46
-
-
0029897023
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(1996)
Carbohydrate Res.
, vol.286
, pp. 17
-
-
Whitefield, D.M.1
Lamba, D.2
Tang, T.-H.3
Csizmadia, I.G.4
-
47
-
-
0000171158
-
-
T.-H. Tang, W.-J. Hu, D.-Y. Yan, Y.-P. Cui, J. Mol. Struct. (Theochem) 207 (1990) 327; J.A. Platts, S.T. Howard, K. Wozniak, J. Org. Chem. 59 (1994) 4647; S.T. Howard, J.A. Platts, J. Phys. Chem. 99 (1995) 9027. T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 70 (1992) 2434; T.-H. Tang, D.M. Whitefield, S.P. Douglas, J.J. Krepinsky, I.G. Csizmadia, Can. J. Chem. 72 (1993) 1803; D.M. Whitefield, T.-H. Tang, J. Am. Chem. Soc. 115 (1993) 9648; D.M. Whitefield, D. Lamba, T.-H. Tang, I.G. Csizmadia, Carbohydrate Res. 286 (1996) 17; T.-H. Tang, X.-Y. Fu, J. Mol. Struct. (Theochem) 392 (1997) 153.
-
(1997)
J. Mol. Struct. (Theochem)
, vol.392
, pp. 153
-
-
Tang, T.-H.1
Fu, X.-Y.2
-
49
-
-
85033922363
-
-
Available from Professor R.F.W. Bader's Laboratory, McMaster University, Hamilton, Ont., Canada L8S 4M1
-
Available from Professor R.F.W. Bader's Laboratory, McMaster University, Hamilton, Ont., Canada L8S 4M1.
-
-
-
-
51
-
-
33646967688
-
-
S.M. Bachrach, A. Streitwieser, J. Am. Chem. Soc. 106 (1984) 2283; M.T. Caroll, C. Chang, R.F.W. Bader, Mol. Phys. 65 (1988) 695.
-
(1988)
Mol. Phys.
, vol.65
, pp. 695
-
-
Caroll, M.T.1
Chang, C.2
Bader, R.F.W.3
|