-
2
-
-
0142175456
-
-
Kanis, D. R.; Ratner, M. A.; Marks, T. J. Chem. Rev. 1994, 94, 195-242.
-
(1994)
Chem. Rev.
, vol.94
, pp. 195-242
-
-
Kanis, D.R.1
Ratner, M.A.2
Marks, T.J.3
-
3
-
-
0039965882
-
-
Brédas, J. L.; Adant, C.; Tackx, P.; Persoons, A.; Pierce, B. M. Chem. Rev. 1994, 94, 243-278.
-
(1994)
Chem. Rev.
, vol.94
, pp. 243-278
-
-
Brédas, J.L.1
Adant, C.2
Tackx, P.3
Persoons, A.4
Pierce, B.M.5
-
5
-
-
0001378185
-
-
Meyers, F.; Brédas, J. L.; Zyss, J. J. Am. Chem. Soc. 1992, 114, 2194-2921.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 2194-2921
-
-
Meyers, F.1
Brédas, J.L.2
Zyss, J.3
-
7
-
-
84990668202
-
-
Morley, J. O.; Pavlides, P.: Pugh, D. Int. J. Quantum Chem. 1992, 43, 7-26.
-
(1992)
Int. J. Quantum Chem.
, vol.43
, pp. 7-26
-
-
Morley, J.O.1
Pavlides, P.2
Pugh, D.3
-
8
-
-
10644242223
-
-
Dehu, C.; Meyers, F.; Brédas, J. L. J. Am. Chem. Soc. 1993, 115, 6198-6206.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 6198-6206
-
-
Dehu, C.1
Meyers, F.2
Brédas, J.L.3
-
11
-
-
85021620581
-
-
Marder, S. R.; Gorman, C. B.; Tiemann, B. G.; Cheng, L. T. J. Am. Chem. Soc. 1993, 115, 3006-3007.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 3006-3007
-
-
Marder, S.R.1
Gorman, C.B.2
Tiemann, B.G.3
Cheng, L.T.4
-
12
-
-
0000731279
-
-
Risser, S. M.; Beratan, D. N.; Marder, S. R. J. Am. Chem. Soc. 1993, 115, 7719-7728.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 7719-7728
-
-
Risser, S.M.1
Beratan, D.N.2
Marder, S.R.3
-
13
-
-
37049090249
-
-
Ortiz, R.; Marder, S. R.; Cheng, L. T.; Tiemann, B. G.; Cavagnero, S.; Ziller, J. W. J. Chem. Soc., Chem. Commun. 1994, 2263-2264.
-
(1994)
J. Chem. Soc., Chem. Commun.
, pp. 2263-2264
-
-
Ortiz, R.1
Marder, S.R.2
Cheng, L.T.3
Tiemann, B.G.4
Cavagnero, S.5
Ziller, J.W.6
-
16
-
-
0000122995
-
-
Meyers, F.; Marder, S. R.; Pierce, B. M.; Brédas, J. L. Chem. Phys. Lett. 1994, 228, 171-176.
-
(1994)
Chem. Phys. Lett.
, vol.228
, pp. 171-176
-
-
Meyers, F.1
Marder, S.R.2
Pierce, B.M.3
Brédas, J.L.4
-
17
-
-
0009350146
-
-
Meyers, F.; Marder, S. R.; Pierce, B. M.; Brédas, J. L. J. Am. Chem. Soc. 1994, 116, 10703-10714.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10703-10714
-
-
Meyers, F.1
Marder, S.R.2
Pierce, B.M.3
Brédas, J.L.4
-
18
-
-
0027992291
-
-
Marder, S. R.; Gorman, C. B.; Meyers, F.; Perry, J. W.; Bourhill, G.; Brédas, J. L.; Pierce, B. M. Science 1994, 265, 632-635.
-
(1994)
Science
, vol.265
, pp. 632-635
-
-
Marder, S.R.1
Gorman, C.B.2
Meyers, F.3
Perry, J.W.4
Bourhill, G.5
Brédas, J.L.6
Pierce, B.M.7
-
20
-
-
0000650234
-
-
Dehu C.; Meyers, F.; Hendrickx, E.; Clays, K.; Persoons, A.; Marder, S. R.; Brédas, J. L. J. Am. Chem. Soc. 1995, 117, 10127-10128.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 10127-10128
-
-
Dehu, C.1
Meyers, F.2
Hendrickx, E.3
Clays, K.4
Persoons, A.5
Marder, S.R.6
Brédas, J.L.7
-
22
-
-
0003086756
-
-
Theoretical and Computational Modeling of NLO and Electronic Materials; Karna, S. P., Yeates, A. T., Eds.; American Chemical Society; Washington, DC, and references therein
-
Kirtman B. In Theoretical and Computational Modeling of NLO and Electronic Materials; Karna, S. P., Yeates, A. T., Eds.; ACS Symposium Series 628; American Chemical Society; Washington, DC, 1996; p 58 and references therein.
-
(1996)
ACS Symposium Series 628
, pp. 58
-
-
Kirtman, B.1
-
23
-
-
0001144496
-
-
Albert, I. D. L.; Das, P. K.; Ramasesha, S. Chem. Phys. Lett. 1991, 176, 217-224.
-
(1991)
Chem. Phys. Lett.
, vol.176
, pp. 217-224
-
-
Albert, I.D.L.1
Das, P.K.2
Ramasesha, S.3
-
24
-
-
0029454506
-
-
Champagne, B.; Jacquemin, D.; André, J. M. SPIE Proc. 1995, 2527, 71-81.
-
(1995)
SPIE Proc.
, vol.2527
, pp. 71-81
-
-
Champagne, B.1
Jacquemin, D.2
André, J.M.3
-
25
-
-
0030589430
-
-
Jacquemin, D.; Champagne, B.; André, J. M.; Kirtman, B. Chem. Phys. 1966, 213, 217-228.
-
(1966)
Chem. Phys.
, vol.213
, pp. 217-228
-
-
Jacquemin, D.1
Champagne, B.2
André, J.M.3
Kirtman, B.4
-
26
-
-
0026172132
-
-
Sales, T. R. M.; de Melo, C. P.; Dos Santos, M. C. Synth. Met. 1991, 41-43, 3751-3754.
-
(1991)
Synth. Met.
, vol.41-43
, pp. 3751-3754
-
-
Sales, T.R.M.1
De Melo, C.P.2
Dos Santos, M.C.3
-
29
-
-
36849115659
-
-
Ditchfield, R.; Hehre, W. J.; Pople, J. A. J. Chem. Phys. 1971, 54, 724-728.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724-728
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
30
-
-
0004133516
-
-
Gaussian Inc., Carnergie-Mellon University, Pittsburgh
-
Gaussian 92; Frish, M. J.; Trucks, G. W., Head-Gordon, M.; Gill, P. W. M.; Wong, M. W.; Foresman, J. B.; Jonhson, B. G.; Schlegel, H. B..; Robb, M. A.; Replogle, E.S.; Gomperts, R.; Andrès, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzales, C.; Martin, R. L.; Fox, D. J.; DeFrees, D. J., Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian Inc., Carnergie-Mellon University, Pittsburgh, 1992.
-
(1992)
Gaussian 92
-
-
Frish, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.W.M.4
Wong, M.W.5
Foresman, J.B.6
Jonhson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andrès, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzales, 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..
-
31
-
-
4243186627
-
-
unpublished results
-
Jacquemin, D., unpublished results.
-
-
-
Jacquemin, D.1
-
32
-
-
0029291951
-
-
Kirtman, B.; Toto, J. L.; Robins, K. A.; Hasan, M. J. Chem. Phys. 1995, 102, 5350-5355.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 5350-5355
-
-
Kirtman, B.1
Toto, J.L.2
Robins, K.A.3
Hasan, M.4
-
33
-
-
4243715710
-
-
Dykstra, C. E.; Jasien, P. G. Chem. Phys. Lett. 1984, 109, 388-393. Karna, S. P.; Dupuis, M. J. Comput. Chem. 1991, 12, 487-504.
-
(1984)
Chem. Phys. Lett.
, vol.109
, pp. 388-393
-
-
Dykstra, C.E.1
Jasien, P.G.2
-
34
-
-
84986439503
-
-
Dykstra, C. E.; Jasien, P. G. Chem. Phys. Lett. 1984, 109, 388-393. Karna, S. P.; Dupuis, M. J. Comput. Chem. 1991, 12, 487-504.
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 487-504
-
-
Karna, S.P.1
Dupuis, M.2
-
35
-
-
0003474231
-
-
IBM Corp., Neighborhood Road, Kingston, NY 12401
-
Dupuis, M.; Marquez, A.; Davidson, E. R. HONDO 95.3 from CHEM-Station; IBM Corp., Neighborhood Road, Kingston, NY 12401; 1995.
-
(1995)
HONDO 95.3 from CHEM-Station
-
-
Dupuis, M.1
Marquez, A.2
Davidson, E.R.3
-
36
-
-
84943916196
-
-
Orr B. J.; Ward, J. F. Mol. Phys. 1971, 20, 513-526. Bishop, D. M. J. Chem. Phys. 1994, 100, 6535-6542.
-
(1971)
Mol. Phys.
, vol.20
, pp. 513-526
-
-
Orr, B.J.1
Ward, J.F.2
-
37
-
-
0000733001
-
-
Orr B. J.; Ward, J. F. Mol. Phys. 1971, 20, 513-526. Bishop, D. M. J. Chem. Phys. 1994, 100, 6535-6542.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 6535-6542
-
-
Bishop, D.M.1
-
38
-
-
0004911673
-
-
Chemla, D. S., Zyss, J., Eds.; Academic: New York
-
André, J. M.; Barbier, C.; Bodart, V. P.; Delhalle, J. In Nonlinear Optical Properties of Organic Molecules and Crystals; Chemla, D. S., Zyss, J., Eds.; Academic: New York, 1987; Vol. 2, pp 137-158.
-
(1987)
Nonlinear Optical Properties of Organic Molecules and Crystals
, vol.2
, pp. 137-158
-
-
André, J.M.1
Barbier, C.2
Bodart, V.P.3
Delhalle, J.4
-
39
-
-
36849117366
-
-
Dalgarno, A.; McNamee, J. M. J. Chem. Phys. 1961, 35, 1517-1518. Langhoff, P. W.; Karplus, M.; Hurst, R. P. J. Chem. Phys. 1966, 44, 505-514. Caves, T. C.; Karplus, M. J. Chem. Phys. 1969, 50, 3649-3661.
-
(1961)
J. Chem. Phys.
, vol.35
, pp. 1517-1518
-
-
Dalgarno, A.1
McNamee, J.M.2
-
40
-
-
0001204948
-
-
Dalgarno, A.; McNamee, J. M. J. Chem. Phys. 1961, 35, 1517-1518. Langhoff, P. W.; Karplus, M.; Hurst, R. P. J. Chem. Phys. 1966, 44, 505-514. Caves, T. C.; Karplus, M. J. Chem. Phys. 1969, 50, 3649-3661.
-
(1966)
J. Chem. Phys.
, vol.44
, pp. 505-514
-
-
Langhoff, P.W.1
Karplus, M.2
Hurst, R.P.3
-
41
-
-
36849112417
-
-
Dalgarno, A.; McNamee, J. M. J. Chem. Phys. 1961, 35, 1517-1518. Langhoff, P. W.; Karplus, M.; Hurst, R. P. J. Chem. Phys. 1966, 44, 505-514. Caves, T. C.; Karplus, M. J. Chem. Phys. 1969, 50, 3649-3661.
-
(1969)
J. Chem. Phys.
, vol.50
, pp. 3649-3661
-
-
Caves, T.C.1
Karplus, M.2
-
42
-
-
0004902117
-
-
Fripiat J. G.; Barbier, C.; Bodart, V. P.; André, J. M. J. Comput. Chem. 1986, 7, 756-760. As a caution for HONDO 95.3 users, the sign convention for μ and β(UCHF) is inconsistent. The β(UCHF) values have then been multiplied by -1.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 756-760
-
-
Fripiat, J.G.1
Barbier, C.2
Bodart, V.P.3
André, J.M.4
-
43
-
-
36549091613
-
-
Hurst, G. J. B.; Dupuis, M.; Clementi, E. J. Chem. Phys. 1988, 89, 385-395.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 385-395
-
-
Hurst, G.J.B.1
Dupuis, M.2
Clementi, E.3
-
45
-
-
84990658436
-
-
Kirtman, B. Int. J. Quantum Chem. 1989, 36, 119-125. Kirtman, B.; Hasan, M. Chem. Phys. Lett. 1989, 157, 123-128.
-
(1989)
Int. J. Quantum Chem.
, vol.36
, pp. 119-125
-
-
Kirtman, B.1
-
46
-
-
0000437760
-
-
Kirtman, B. Int. J. Quantum Chem. 1989, 36, 119-125. Kirtman, B.; Hasan, M. Chem. Phys. Lett. 1989, 157, 123-128.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 123-128
-
-
Kirtman, B.1
Hasan, M.2
-
49
-
-
84987111564
-
-
Champagne, B.; Mosley, D. H.; André, J. M. Int. J. Quantum Chem. 1993, S27, 667-686. Champagne, B.; Mosley, D. H.; André, J. M. J. Chem. Phys. 1994, 100, 2034-2043.
-
(1993)
Int. J. Quantum Chem.
, vol.S27
, pp. 667-686
-
-
Champagne, B.1
Mosley, D.H.2
André, J.M.3
-
50
-
-
36449002184
-
-
Champagne, B.; Mosley, D. H.; André, J. M. Int. J. Quantum Chem. 1993, S27, 667-686. Champagne, B.; Mosley, D. H.; André, J. M. J. Chem. Phys. 1994, 100, 2034-2043.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2034-2043
-
-
Champagne, B.1
Mosley, D.H.2
André, J.M.3
-
51
-
-
0020764398
-
-
Kirtman, B.; Nilsson, W. B.; Palke, W. E. Solid State Commun. 1983, 46, 791-795.
-
(1983)
Solid State Commun.
, vol.46
, pp. 791-795
-
-
Kirtman, B.1
Nilsson, W.B.2
Palke, W.E.3
-
53
-
-
0040740711
-
-
Prentice Hall: Englewood Cliffs, NJ, Chapter 2
-
Edwards, C. H. Jr.; Penney, D. E. Differential Equations and Boundary Value Problems - Computing and Modeling; Prentice Hall: Englewood Cliffs, NJ, 1996; Chapter 2, pp 70-76.
-
(1996)
Differential Equations and Boundary Value Problems - Computing and Modeling
, pp. 70-76
-
-
Edwards Jr., C.H.1
Penney, D.E.2
-
54
-
-
0030166951
-
-
Jacquemin, D.; Champagne, B.; André, J. M., Synth. Met., 1996, 80, 205-210.
-
(1996)
Synth. Met.
, vol.80
, pp. 205-210
-
-
Jacquemin, D.1
Champagne, B.2
André, J.M.3
-
55
-
-
4243184344
-
-
To be published
-
To be published.
-
-
-
-
56
-
-
0001927936
-
-
Toto, T. T.; Toto, J. L.; de Melo, C. P.; Hasan, M.; Kirtman, B. Chem. Phys. Lett. 1995, 244, 59-64. Toto, J. L.; Toto, T. T.; de Melo, C. P. Chem. Phys. Lett. 1995, 245, 660-664. Toto, J. L.; Toto, T. T.; de Melo, C. P.; Robins, K. A. J. Chem. Phys. 1995, 102, 8048-8052. Champagne, B.; Mosley, D. H. J. Chem. Phys. 1996, 105, 3592-3602. Jacquemin, D.; Champagne, B.; Andre, J. M., J. Molec. Struct. (THEOCHEM), in press.
-
(1995)
Chem. Phys. Lett.
, vol.244
, pp. 59-64
-
-
Toto, T.T.1
Toto, J.L.2
De Melo, C.P.3
Hasan, M.4
Kirtman, B.5
-
57
-
-
0000843795
-
-
Toto, T. T.; Toto, J. L.; de Melo, C. P.; Hasan, M.; Kirtman, B. Chem. Phys. Lett. 1995, 244, 59-64. Toto, J. L.; Toto, T. T.; de Melo, C. P. Chem. Phys. Lett. 1995, 245, 660-664. Toto, J. L.; Toto, T. T.; de Melo, C. P.; Robins, K. A. J. Chem. Phys. 1995, 102, 8048-8052. Champagne, B.; Mosley, D. H. J. Chem. Phys. 1996, 105, 3592-3602. Jacquemin, D.; Champagne, B.; Andre, J. M., J. Molec. Struct. (THEOCHEM), in press.
-
(1995)
Chem. Phys. Lett.
, vol.245
, pp. 660-664
-
-
Toto, J.L.1
Toto, T.T.2
De Melo, C.P.3
-
58
-
-
36449005702
-
-
Toto, T. T.; Toto, J. L.; de Melo, C. P.; Hasan, M.; Kirtman, B. Chem. Phys. Lett. 1995, 244, 59-64. Toto, J. L.; Toto, T. T.; de Melo, C. P. Chem. Phys. Lett. 1995, 245, 660-664. Toto, J. L.; Toto, T. T.; de Melo, C. P.; Robins, K. A. J. Chem. Phys. 1995, 102, 8048-8052. Champagne, B.; Mosley, D. H. J. Chem. Phys. 1996, 105, 3592-3602. Jacquemin, D.; Champagne, B.; Andre, J. M., J. Molec. Struct. (THEOCHEM), in press.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 8048-8052
-
-
Toto, J.L.1
Toto, T.T.2
De Melo, C.P.3
Robins, K.A.4
-
59
-
-
0001386477
-
-
Toto, T. T.; Toto, J. L.; de Melo, C. P.; Hasan, M.; Kirtman, B. Chem. Phys. Lett. 1995, 244, 59-64. Toto, J. L.; Toto, T. T.; de Melo, C. P. Chem. Phys. Lett. 1995, 245, 660-664. Toto, J. L.; Toto, T. T.; de Melo, C. P.; Robins, K. A. J. Chem. Phys. 1995, 102, 8048-8052. Champagne, B.; Mosley, D. H. J. Chem. Phys. 1996, 105, 3592-3602. Jacquemin, D.; Champagne, B.; Andre, J. M., J. Molec. Struct. (THEOCHEM), in press.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 3592-3602
-
-
Champagne, B.1
Mosley, D.H.2
-
60
-
-
0001927936
-
-
in press
-
Toto, T. T.; Toto, J. L.; de Melo, C. P.; Hasan, M.; Kirtman, B. Chem. Phys. Lett. 1995, 244, 59-64. Toto, J. L.; Toto, T. T.; de Melo, C. P. Chem. Phys. Lett. 1995, 245, 660-664. Toto, J. L.; Toto, T. T.; de Melo, C. P.; Robins, K. A. J. Chem. Phys. 1995, 102, 8048-8052. Champagne, B.; Mosley, D. H. J. Chem. Phys. 1996, 105, 3592-3602. Jacquemin, D.; Champagne, B.; Andre, J. M., J. Molec. Struct. (THEOCHEM), in press.
-
J. Molec. Struct. (THEOCHEM)
-
-
Jacquemin, D.1
Champagne, B.2
Andre, J.M.3
-
61
-
-
36449009188
-
-
Champagne, B.; Perpète, E. A.; André, J. M. J. Chem. Phys. 1994, 101, 10796-10807. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. J. Chem. Soc., Faraday Trans. 1995, 91, 1641-1646. Kirtman, B.; Champagne, B.; André, J. M. J. Chem. Phys. 1996, 104, 4125-4136. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. Synth. Met., in press.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 10796-10807
-
-
Champagne, B.1
Perpète, E.A.2
André, J.M.3
-
62
-
-
37049085677
-
-
Champagne, B.; Perpète, E. A.; André, J. M. J. Chem. Phys. 1994, 101, 10796-10807. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. J. Chem. Soc., Faraday Trans. 1995, 91, 1641-1646. Kirtman, B.; Champagne, B.; André, J. M. J. Chem. Phys. 1996, 104, 4125-4136. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. Synth. Met., in press.
-
(1995)
J. Chem. Soc., Faraday Trans.
, vol.91
, pp. 1641-1646
-
-
Champagne, B.1
Perpète, E.A.2
André, J.M.3
Kirtman, B.4
-
63
-
-
0000069196
-
-
Champagne, B.; Perpète, E. A.; André, J. M. J. Chem. Phys. 1994, 101, 10796-10807. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. J. Chem. Soc., Faraday Trans. 1995, 91, 1641-1646. Kirtman, B.; Champagne, B.; André, J. M. J. Chem. Phys. 1996, 104, 4125-4136. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. Synth. Met., in press.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 4125-4136
-
-
Kirtman, B.1
Champagne, B.2
André, J.M.3
-
64
-
-
36449009188
-
-
in press
-
Champagne, B.; Perpète, E. A.; André, J. M. J. Chem. Phys. 1994, 101, 10796-10807. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. J. Chem. Soc., Faraday Trans. 1995, 91, 1641-1646. Kirtman, B.; Champagne, B.; André, J. M. J. Chem. Phys. 1996, 104, 4125-4136. Champagne, B.; Perpète, E. A.; André, J. M.; Kirtman, B. Synth. Met., in press.
-
Synth. Met.
-
-
Champagne, B.1
Perpète, E.A.2
André, J.M.3
Kirtman, B.4
|