-
1
-
-
0004267777
-
-
Royal Society of Chemistry: Cambridge
-
Christie, R. M. Colour Chemistry; Royal Society of Chemistry: Cambridge, 2001.
-
(2001)
Colour Chemistry
-
-
Christie, R.M.1
-
2
-
-
84981767525
-
-
Dähne, S.; Leupold, D. Angew. Chem., Int. Ed. Engl. 1966, 5, 984.
-
(1966)
Angew. Chem., Int. Ed. Engl.
, vol.5
, pp. 984
-
-
Dähne, S.1
Leupold, D.2
-
3
-
-
0008289883
-
-
Dähne, S.; Leupold, D.; Radeglia, R. J. Prakt. Chem. 1972, 314, 525.
-
(1972)
J. Prakt. Chem.
, vol.314
, pp. 525
-
-
Dähne, S.1
Leupold, D.2
Radeglia, R.3
-
5
-
-
0033578794
-
-
Joshi, H. S.; Jamshidi, R.; Tor, Y. Angew. Chem., Int. Ed. 1999, 38, 2721.
-
(1999)
Angew. Chem., Int. Ed.
, vol.38
, pp. 2721
-
-
Joshi, H.S.1
Jamshidi, R.2
Tor, Y.3
-
6
-
-
0001531762
-
-
(a) Kraft, A.; Grimsdale, A. C.; Holmes, A. B. Angew. Chem., Int. Ed. 1998, 37, 403.
-
(1998)
Angew. Chem., Int. Ed.
, vol.37
, pp. 403
-
-
Kraft, A.1
Grimsdale, A.C.2
Holmes, A.B.3
-
7
-
-
0031552566
-
-
(b) Noda, T.; Ogawa, H.; Noma, N.; Shirota, Y. Adv. Mater. 1997, 9, 720.
-
(1997)
Adv. Mater.
, vol.9
, pp. 720
-
-
Noda, T.1
Ogawa, H.2
Noma, N.3
Shirota, Y.4
-
10
-
-
33748219250
-
-
Bock, H.; Ruppert, K.; Näther, C.; Havlas, Z. Angew. Chem., Int. Ed. Engl. 1991, 30, 1180.
-
(1991)
Angew. Chem., Int. Ed. Engl.
, vol.30
, pp. 1180
-
-
Bock, H.1
Ruppert, K.2
Näther, C.3
Havlas, Z.4
-
16
-
-
0141923171
-
-
Braunstein, P.; Siri, O.; Taquet, J.-P.; Rohmer, M.-M.; Bénard, M.; Welter, R. J. Am. Chem. Soc. 2003, 125, 12246.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 12246
-
-
Braunstein, P.1
Siri, O.2
Taquet, J.-P.3
Rohmer, M.-M.4
Bénard, M.5
Welter, R.6
-
20
-
-
0029759396
-
-
Hamuro, Y.; Geib, S. J.; Hamilton, A. D. J. Am. Chem. Soc. 1996, 118, 7529.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 7529
-
-
Hamuro, Y.1
Geib, S.J.2
Hamilton, A.D.3
-
21
-
-
0030838308
-
-
Hamuro, Y.; Geib, S. J.; Hamilton, A. D. J. Am. Chem. Soc. 1997, 119, 10587.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 10587
-
-
Hamuro, Y.1
Geib, S.J.2
Hamilton, A.D.3
-
22
-
-
0005308228
-
-
Arient, J.; Marhan, J.; Täublova, H. Collect. Czech. Chem. Commun. 1960, 25, 1602.
-
(1960)
Collect. Czech. Chem. Commun.
, vol.25
, pp. 1602
-
-
Arient, J.1
Marhan, J.2
Täublova, H.3
-
23
-
-
0002472794
-
-
Wudl, F.; Koutentis, P. A.; Weitz, A.; Ma, B.; Strassner, T.; Houk, K. N.; Khan, S. I. Pure Appl. Chem. 1999, 71, 295.
-
(1999)
Pure Appl. Chem.
, vol.71
, pp. 295
-
-
Wudl, F.1
Koutentis, P.A.2
Weitz, A.3
Ma, B.4
Strassner, T.5
Houk, K.N.6
Khan, S.I.7
-
24
-
-
0033801640
-
-
Ghosh, A. M.; Mitra, K. N.; Mostafa, G.; Goswami, S. Eur. J. Inorg. Chem. 2000, 1961.
-
(2000)
Eur. J. Inorg. Chem.
, pp. 1961
-
-
Ghosh, A.M.1
Mitra, K.N.2
Mostafa, G.3
Goswami, S.4
-
25
-
-
0022409206
-
-
Rychlewska, U.; Broom, M. B. H.; Eggleteon, D. S.; Hodgson, D. J. J. Am. Chem. Soc. 1985, 107, 4768.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 4768
-
-
Rychlewska, U.1
Broom, M.B.H.2
Eggleteon, D.S.3
Hodgson, D.J.4
-
27
-
-
0032766231
-
-
Aakeröy, C. B.; Evans, T. A.; Seddon, K. R.; Pálinkó, I. New J. Chem. 1999, 145.
-
(1999)
New J. Chem.
, vol.145
-
-
Aakeröy, C.B.1
Evans, T.A.2
Seddon, K.R.3
Pálinkó, I.4
-
28
-
-
84962359486
-
-
For recent results on double proton transfer in N-H·· ·O and N···H-O systems, see: Osmialowski, B.; Kolehmainen, E.; Gawinecki, R. Chem. Eur. J. 2003, 9, 2710.
-
(2003)
Chem. Eur. J.
, vol.9
, pp. 2710
-
-
Osmialowski, B.1
Kolehmainen, E.2
Gawinecki, R.3
-
30
-
-
0000623401
-
-
Bourhill, G.; Brédas, J.-L.; Cheng, L.-T.; Marder, S. R.; Meyers, F.; Perry, J. W.; Tiemann, B. G. J. Am. Chem. Soc. 1994, 116, 2619.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 2619
-
-
Bourhill, G.1
Brédas, J.-L.2
Cheng, L.-T.3
Marder, S.R.4
Meyers, F.5
Perry, J.W.6
Tiemann, B.G.7
-
32
-
-
0242478052
-
-
note
-
The interaction between the π subsystems can be compared to that occurring between two atoms of rare gas forced to approach each other. Atomic levels are split by the interaction generating Pauli repulsion, but with no bond and no electron delocalization.
-
-
-
-
33
-
-
0141712315
-
-
Theoretical Chemistry Department, Vrije Universiteit. Amsterdam, The Netherlands
-
ADF user's guide; Theoretical Chemistry Department, Vrije Universiteit. Amsterdam, The Netherlands, 1999.
-
(1999)
ADF User's Guide
-
-
-
34
-
-
0038023343
-
-
Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
-
(1973)
Chem. Phys.
, vol.2
, pp. 41
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
36
-
-
0002540274
-
-
Clementi E.; Corongiu, G., Eds.; STEF: Cagliari, Italy
-
Fonseca-Guerra, C.; Visser, O.; Snijders, J. G.; Te Velde, G.; Baerends, E. J. In Methods and Techniques in Computational Chemistry: METECC-95; Clementi E.; Corongiu, G., Eds.; STEF: Cagliari, Italy, 1995; p 305.
-
(1995)
Methods and Techniques in Computational Chemistry: METECC-95
, pp. 305
-
-
Fonseca-Guerra, C.1
Visser, O.2
Snijders, J.G.3
Te Velde, G.4
Baerends, E.J.5
-
37
-
-
0242561872
-
-
in press
-
Elhabiri, M.; Siri, O.; Sornosa-Tent, A.; Albrecht-Gary, A.-M.; Braunstein, P. Chem. Eur J., in press.
-
Chem. Eur J.
-
-
Elhabiri, M.1
Siri, O.2
Sornosa-Tent, A.3
Albrecht-Gary, A.-M.4
Braunstein, P.5
-
40
-
-
0000934936
-
-
Snijders, S. G.; Baerends, E. J.; Vernooijs, P. At. Nucl. Tables 1982, 26, 483.
-
(1982)
At. Nucl. Tables
, vol.26
, pp. 483
-
-
Snijders, S.G.1
Baerends, E.J.2
Vernooijs, P.3
-
42
-
-
77956972092
-
-
Seminario, J. M., Ed.; Theoretical and Computational Chemistry, Elsevier: Oxford
-
Casida M. E. In Recent Developments of Modern Density Functional Theory; Seminario, J. M., Ed.; Theoretical and Computational Chemistry, Vol. 4; Elsevier: Oxford, 1996, p 391.
-
(1996)
Recent Developments of Modern Density Functional Theory
, vol.4
, pp. 391
-
-
Casida, M.E.1
-
43
-
-
0032533083
-
-
Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. 1988, 109, 8218.
-
(1988)
J. Chem. Phys.
, vol.109
, pp. 8218
-
-
Stratmann, R.E.1
Scuseria, G.E.2
Frisch, M.J.3
-
44
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; 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.; Petersson, 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, I.; 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. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.6; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.6
-
-
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
Petersson, 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, I.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.G.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..
-
45
-
-
0037063789
-
-
For a critical and systematic evaluation of TD-DFT for the calculation of excitation energies in organic chromophores with the hybrid B3LYP functional, see Fabian, J.; Diaz, L. A.; Seifert, G.; Niehaus, T. J. Mol. Struct.: THEOCHEM 2002, 594, 41.
-
(2002)
J. Mol. Struct.: THEOCHEM
, vol.594
, pp. 41
-
-
Fabian, J.1
Diaz, L.A.2
Seifert, G.3
Niehaus, T.4
-
46
-
-
0012704871
-
-
Bruker Nonius BV: Delft, The Netherlands
-
(a) KappaCCD Operation Manual; Bruker Nonius BV: Delft, The Netherlands, 1997.
-
(1997)
KappaCCD Operation Manual
-
-
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