-
1
-
-
0002206460
-
Thematic issue on optical nonlinearities in chemistry
-
Thematic issue on Optical Nonlinearities in Chemistry. Chem Rev. 1994, 94.
-
(1994)
Chem Rev.
, vol.94
-
-
-
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
-
-
0002883662
-
-
Nalwa, H. S., Academic: San Diego, CA; Chapter 2
-
Champagne, B.; Kirtman, B. In Theoretical Aspects of Conjugated Organic Molecules and Polymers for NLO Devices; Nalwa, H. S., Academic: San Diego, CA, 2001; Vol. 9, Chapter 2, pp 63-126.
-
(2001)
Theoretical Aspects of Conjugated Organic Molecules and Polymers for NLO Devices
, vol.9
, pp. 63-126
-
-
Champagne, B.1
Kirtman, B.2
-
4
-
-
0000744906
-
-
Jacquemin, D.; Champagne, B.; Kirtman, B. J. Chem. Phys. 1997, 107, 5076-5087.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 5076-5087
-
-
Jacquemin, D.1
Champagne, B.2
Kirtman, B.3
-
5
-
-
0027691234
-
-
Clays, K.; Hendrickx, E.; Triest, M.; Verbiest, T.; Persoons, A.; Dehu, C.; Brédas, J. L. Science 1993, 262, 1419.
-
(1993)
Science
, vol.262
, pp. 1419
-
-
Clays, K.1
Hendrickx, E.2
Triest, M.3
Verbiest, T.4
Persoons, A.5
Dehu, C.6
Brédas, J.L.7
-
6
-
-
0032582495
-
-
Verbiest, T.; Van Elshocht, S.; Kauranen, M.; Hellemans, M.; Snauwaert, J.; Nuckolls, C. N.; Katz, T. J.; Persoons, A. Science 1998, 282, 913.
-
(1998)
Science
, vol.282
, pp. 913
-
-
Verbiest, T.1
Van Elshocht, S.2
Kauranen, M.3
Hellemans, M.4
Snauwaert, J.5
Nuckolls, C.N.6
Katz, T.J.7
Persoons, A.8
-
7
-
-
0000382242
-
-
Morley, J. O.; Hutchings, M. G.; Hall, H. J. Phys. Chem. A 1998, 102, 5802.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 5802
-
-
Morley, J.O.1
Hutchings, M.G.2
Hall, H.3
-
8
-
-
0032496767
-
-
Zyss, J.; Brasselet, S.; Thalladi, V. R.; Desiraju, G. R. J. Chem. Phys. 1998, 109, 658.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 658
-
-
Zyss, J.1
Brasselet, S.2
Thalladi, V.R.3
Desiraju, G.R.4
-
9
-
-
37049073109
-
-
Morley, J. O.; Docherty, V. J.; Pugh, D. J. Chem. Soc., Perkin Trans. 2 1987, 1351-1355.
-
(1987)
J. Chem. Soc., Perkin Trans. 2
, pp. 1351-1355
-
-
Morley, J.O.1
Docherty, V.J.2
Pugh, D.3
-
11
-
-
0035950806
-
-
Jacquemin, D.; Champagne, B.; Perpète, E. A.; Luis, J.; Kirtman, B. J. Phys. Chem. A 2001, 105, 9748-9755.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 9748-9755
-
-
Jacquemin, D.1
Champagne, B.2
Perpète, E.A.3
Luis, J.4
Kirtman, B.5
-
12
-
-
0009350146
-
-
Meyers, F.; Marder, S.; 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.2
Pierce, B.M.3
Brédas, J.L.4
-
13
-
-
0032206624
-
-
Allcock, H. R.; J.; S. N.; Ravikiran, R.; Nelson, J. M. Macromolecules 1998, 31, 8026-8035.
-
(1998)
Macromolecules
, vol.31
, pp. 8026-8035
-
-
Allcock, H.R.J.1
Ravikiran, S.N.R.2
Nelson, J.M.3
-
15
-
-
0037043875
-
-
Chandra Jha, P.; Krishnan, A.; Das, P. K.; Ramasesha, S. J. Chem. Phys. 2002, 117, 2873-2881.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 2873-2881
-
-
Chandra Jha, P.1
Krishnan, A.2
Das, P.K.3
Ramasesha, S.4
-
16
-
-
0036155352
-
-
Jacquemin, D.; Perpète, E. A.; Champagne, B. Phys. Chem. Chem. Phys. 2002, 4, 432-440.
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 432-440
-
-
Jacquemin, D.1
Perpète, E.A.2
Champagne, B.3
-
17
-
-
0032548613
-
-
Jacquemin, D.; Champagne, B.; André, J. M. Chem. Phys. Lett. 1998, 284, 24-30.
-
(1998)
Chem. Phys. Lett.
, vol.284
, pp. 24-30
-
-
Jacquemin, D.1
Champagne, B.2
André, J.M.3
-
20
-
-
0029454506
-
-
Champagne, B.; Jacquemin, D.; André, J. M. SPIE Proc. 1995, 2527, 71.
-
(1995)
SPIE Proc.
, vol.2527
, pp. 71
-
-
Champagne, B.1
Jacquemin, D.2
André, J.M.3
-
21
-
-
0001712763
-
-
Champagne, B.; Jacquemin, D.; André, J. M.; Kirtman, B. J. Phys. Chem. A 1997, 101, 3158-3165.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 3158-3165
-
-
Champagne, B.1
Jacquemin, D.2
André, J.M.3
Kirtman, B.4
-
22
-
-
0035828649
-
-
Jacquemin, D.; Beljonne, D.; Champagne, B.; Geskin, V.; Brédas, J. L.; André, J. M. J. Chem. Phys. 2001, 115, 6766-6774.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 6766-6774
-
-
Jacquemin, D.1
Beljonne, D.2
Champagne, B.3
Geskin, V.4
Brédas, J.L.5
André, J.M.6
-
23
-
-
0038228279
-
-
Jacquemin, D.; Perpète, E. A.; Champagne, B.; André, J. M.; Kirtman, B. Recent Res. Devel. Physical Chem. 2002, 6, 145-165.
-
(2002)
Recent Res. Devel. Physical Chem.
, vol.6
, pp. 145-165
-
-
Jacquemin, D.1
Perpète, E.A.2
Champagne, B.3
André, J.M.4
Kirtman, B.5
-
24
-
-
0034228622
-
-
Kirtman, B.; Gu, F. L.; Bishop, D. M. J. Chem. Phys. 2000, 113, 1294.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 1294
-
-
Kirtman, B.1
Gu, F.L.2
Bishop, D.M.3
-
27
-
-
0034706044
-
-
Kirtman, B.; Champagne, B.; Bishop, D. M. J. Am. Chem. Soc. 2000, 122, 8007.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 8007
-
-
Kirtman, B.1
Champagne, B.2
Bishop, D.M.3
-
28
-
-
0035830246
-
-
Gu, F. L.; Bishop, D. M.; Kirtman, B. J. Chem. Phys. 2001, 115, 10548-10556.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 10548-10556
-
-
Gu, F.L.1
Bishop, D.M.2
Kirtman, B.3
-
29
-
-
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
-
30
-
-
0038567083
-
-
note
-
At least at the HF level. At EC level, the limiting factor remains unknown.
-
-
-
-
31
-
-
0038567082
-
-
note
-
In this paper, the usual convention has been chosen to describe the level of calculation electronic structure method// geometry optimization scheme.
-
-
-
-
32
-
-
0038228307
-
-
note
-
The corresponding optimal HF/6-31G//HF/6-31G and MP2/6-31G//HF/6-31G ratio are 50-75% and 66-100%, respectively.
-
-
-
-
33
-
-
0038567085
-
-
note
-
L.
-
-
-
-
34
-
-
0038567084
-
-
note
-
In the macromolecule, the limiting factor of PMI becomes delocalization (see section III.A), although infinitely long PMI is very close to the optimal C/N ratio at this level of theory.
-
-
-
|