-
2
-
-
85034153822
-
-
note
-
This model predicts that electron-detachment energies of dipole-bound anions increase with increasing dipole moments. In principle, a dipole-bound anion could have a large electron-detachment energy.
-
-
-
-
4
-
-
0039413282
-
-
Sevilla, M. D.; Besler, B. B.; Colson, A. O. J. Phys. Chem. 1994, 98, 2215.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2215
-
-
Sevilla, M.D.1
Besler, B.B.2
Colson, A.O.3
-
5
-
-
0000617357
-
-
Hendricks, J. H.; Lyapustina, S. A.; de Clercq, H. L.; Snodgrass, J. T.; Bowen, K. H. J. Chem. Phys. 1996, 104, 7788.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 7788
-
-
Hendricks, J.H.1
Lyapustina, S.A.2
De Clercq, H.L.3
Snodgrass, J.T.4
Bowen, K.H.5
-
6
-
-
0032280766
-
-
Schiedt, J.; Weinkauf, R.; Neumark, D. M.; Schlag, E. W. Chem. Phys. 1998, 239, 511.
-
(1998)
Chem. Phys.
, vol.239
, pp. 511
-
-
Schiedt, J.1
Weinkauf, R.2
Neumark, D.M.3
Schlag, E.W.4
-
7
-
-
0000896264
-
-
Aflatooni, K.; Gallup, G. A.; Burrow, P. D. J. Phys. Chem. A 1998, 102, 6205.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 6205
-
-
Aflatooni, K.1
Gallup, G.A.2
Burrow, P.D.3
-
8
-
-
11644276221
-
-
Huels, M. A.; Hahndorf, I.; Illenberger, E.; Sanche, L. J. Chem. Phys. 1998, 108, 1309.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1309
-
-
Huels, M.A.1
Hahndorf, I.2
Illenberger, E.3
Sanche, L.4
-
9
-
-
0032001460
-
-
Desfrançois, C; Periquet, V.; Bouteiller, Y.; Schermann, J. P. J. Chem. Phys. A 1998, 102, 1274.
-
(1998)
J. Chem. Phys. A
, vol.102
, pp. 1274
-
-
Desfrançois, C.1
Periquet, V.2
Bouteiller, Y.3
Schermann, J.P.4
-
11
-
-
0000274821
-
-
Oyler, N. A.; Adamowicz, L. Chem. Phys. Lett. 1994, 219, 223. Roerig, G. H.; Oyler, N. A.; Adamowicz, L. Chem. Phys. Lett. 1994, 225, 265. Roerig, G. H.; Oyler, N. A.; Adamowicz, L. J. Phys. Chem. 1995, 99, 14285.
-
(1994)
Chem. Phys. Lett.
, vol.219
, pp. 223
-
-
Oyler, N.A.1
Adamowicz, L.2
-
12
-
-
0000820660
-
-
Oyler, N. A.; Adamowicz, L. Chem. Phys. Lett. 1994, 219, 223. Roerig, G. H.; Oyler, N. A.; Adamowicz, L. Chem. Phys. Lett. 1994, 225, 265. Roerig, G. H.; Oyler, N. A.; Adamowicz, L. J. Phys. Chem. 1995, 99, 14285.
-
(1994)
Chem. Phys. Lett.
, vol.225
, pp. 265
-
-
Roerig, G.H.1
Oyler, N.A.2
Adamowicz, L.3
-
13
-
-
0029369290
-
-
Oyler, N. A.; Adamowicz, L. Chem. Phys. Lett. 1994, 219, 223. Roerig, G. H.; Oyler, N. A.; Adamowicz, L. Chem. Phys. Lett. 1994, 225, 265. Roerig, G. H.; Oyler, N. A.; Adamowicz, L. J. Phys. Chem. 1995, 99, 14285.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14285
-
-
Roerig, G.H.1
Oyler, N.A.2
Adamowicz, L.3
-
14
-
-
0000769813
-
-
Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Chem. Phys. Lett. 1999, 307, 220.
-
(1999)
Chem. Phys. Lett.
, vol.307
, pp. 220
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
15
-
-
0040598630
-
-
Desfrançois, C.; Abdoul-Carime, H.; Schermann, J. P. J. Chem. Phys. 1996, 104, 7792.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 7792
-
-
Desfrançois, C.1
Abdoul-Carime, H.2
Schermann, J.P.3
-
16
-
-
11344270521
-
-
Hendricks, J. H.; Lyapustina, S. A.; de Clercq, H. L.; Bowen, K. H. J. Chem. Phys. 1998, 108, 8.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 8
-
-
Hendricks, J.H.1
Lyapustina, S.A.2
De Clercq, H.L.3
Bowen, K.H.4
-
17
-
-
0001156053
-
-
Smets, J.; McCarthy, W. J.; Adamowicz, L. J. Phys. Chem. 1996, 100, 14655.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 14655
-
-
Smets, J.1
McCarthy, W.J.2
Adamowicz, L.3
-
18
-
-
0031277119
-
-
Smets, J.; Smith, D. M. A.; Elkadi, Y.; Adamowicz, L. J. Phys. Chem. A 1997, 101, 9152.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 9152
-
-
Smets, J.1
Smith, D.M.A.2
Elkadi, Y.3
Adamowicz, L.4
-
19
-
-
33751172346
-
-
Nguyen, M. T.; Chandra, A. K.; Zeegers-Huyskens, T. J. Chem. Soc., Faraday Trans. 1998, 94, 1277.
-
(1998)
J. Chem. Soc., Faraday Trans.
, vol.94
, pp. 1277
-
-
Nguyen, M.T.1
Chandra, A.K.2
Zeegers-Huyskens, T.3
-
20
-
-
0001320016
-
-
(b) Chandra, A. K.; Nguyen, M. T.; Zeegers-Huyskens, T. J. Chem. Phys. 1998, 102, 6010.
-
(1998)
J. Chem. Phys.
, vol.102
, pp. 6010
-
-
Chandra, A.K.1
Nguyen, M.T.2
Zeegers-Huyskens, T.3
-
21
-
-
0000133856
-
-
Mourik, T. van; Price, S. L.; Clary, D. C. J. Phys. Chem. A 1999, 103, 1611.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 1611
-
-
Van Mourik, T.1
Price, S.L.2
Clary, D.C.3
-
22
-
-
0001105578
-
-
Leszczynski, J., Ed.; World Scientific: Singapore
-
Ortiz, J. V. In Computational Chemistry: Reviews of Current Trends, Vol. 2; Leszczynski, J., Ed.; World Scientific: Singapore, 1997; p 1.
-
(1997)
Computational Chemistry: Reviews of Current Trends
, vol.2
, pp. 1
-
-
Ortiz, J.V.1
-
23
-
-
0001661987
-
-
Calais, J.-L., Kryachko, E., Eds.; Kluwer: Dordrecht
-
(b) Ortiz, J. V.; Zakrzewski, V. G.; Dolgounitcheva, O. In Conceptual Perspectives In Quantum Chemistry, Vol. 3; Calais, J.-L., Kryachko, E., Eds.; Kluwer: Dordrecht, 1997; p 465.
-
(1997)
Conceptual Perspectives In Quantum Chemistry
, vol.3
, pp. 465
-
-
Ortiz, J.V.1
Zakrzewski, V.G.2
Dolgounitcheva, O.3
-
24
-
-
0002001775
-
-
and references therein
-
(c) Ortiz, J. V. Adv. Quantum Chem. 1999, 35, 33 and references therein.
-
(1999)
Adv. Quantum Chem.
, vol.35
, pp. 33
-
-
Ortiz, J.V.1
-
26
-
-
84881454506
-
-
Gaussian, Inc.: Pittsburgh, PA
-
GAUSSIAN 98 (Revision A2); Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, Jr., J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Peterson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, L; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
GAUSSIAN 98 (Revision A2)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Peterson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, L.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
27
-
-
0347170005
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
28
-
-
33748545144
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213.
-
(1973)
Theor. Chim. Acta
, vol.28
, pp. 213
-
-
Hariharan, P.C.1
Pople, J.A.2
-
29
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650. Petersson, G. A.; Bennett, A.; Tensfeldt, T. G.; Al-Laham, M. A.; Shirley, W. A.; Mantzaris, J. J. Chem. Phys. 1988, 89, 2193; Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. von R. J. Comput. Chem. 1983, 4, 294.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
30
-
-
36549091806
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650. Petersson, G. A.; Bennett, A.; Tensfeldt, T. G.; Al-Laham, M. A.; Shirley, W. A.; Mantzaris, J. J. Chem. Phys. 1988, 89, 2193; Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. von R. J. Comput. Chem. 1983, 4, 294.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 2193
-
-
Petersson, G.A.1
Bennett, A.2
Tensfeldt, T.G.3
Al-Laham, M.A.4
Shirley, W.A.5
Mantzaris, J.6
-
31
-
-
0038035472
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650. Petersson, G. A.; Bennett, A.; Tensfeldt, T. G.; Al-Laham, M. A.; Shirley, W. A.; Mantzaris, J. J. Chem. Phys. 1988, 89, 2193; Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. von R. J. Comput. Chem. 1983, 4, 294.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6081
-
-
Petersson, G.A.1
Al-Laham, M.A.2
-
32
-
-
84986468715
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650. Petersson, G. A.; Bennett, A.; Tensfeldt, T. G.; Al-Laham, M. A.; Shirley, W. A.; Mantzaris, J. J. Chem. Phys. 1988, 89, 2193; Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. von R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
34
-
-
36549091139
-
-
Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
35
-
-
0021411798
-
-
Niessen, W. von; Schirmer, J.; Cederbaum, L. S. Comput. Phys. Rep. 1984, 1, 57.
-
(1984)
Comput. Phys. Rep.
, vol.1
, pp. 57
-
-
Von Niessen, W.1
Schirmer, J.2
Cederbaum, L.S.3
-
38
-
-
0004203089
-
-
CAOS/CAMM Center, The Netherlands,
-
Schaftenaar, G. MOLDEN 3.4; CAOS/CAMM Center, The Netherlands, 1998.
-
(1998)
MOLDEN 3.4
-
-
Schaftenaar, G.1
-
41
-
-
85034149029
-
-
private communication
-
von Niessen, W., private communication.
-
-
-
Von Niessen, W.1
-
42
-
-
0003059880
-
-
Zakrzewski, V. G.; Ortiz, J. V.; Nichols, J. A.; Heryadi, D.; Yeager, D. L.; Golab, J. T. Int. J. Quantum Chem. 1996, 60, 29.
-
(1996)
Int. J. Quantum Chem.
, vol.60
, pp. 29
-
-
Zakrzewski, V.G.1
Ortiz, J.V.2
Nichols, J.A.3
Heryadi, D.4
Yeager, D.L.5
Golab, J.T.6
-
43
-
-
85034119285
-
-
private communication
-
Sevilla, M. D., private communication.
-
-
-
Sevilla, M.D.1
|