-
4
-
-
0345060761
-
-
10.1021/cr00005a007 1:CAS:528:DyaK3MXkvFWgt7g%3D
-
MD Newton 1991 Chem Rev 91 767 10.1021/cr00005a007 1:CAS:528: DyaK3MXkvFWgt7g%3D
-
(1991)
Chem Rev
, vol.91
, pp. 767
-
-
Newton, M.D.1
-
5
-
-
52949137880
-
-
10.1039/b807750a 1:CAS:528:DC%2BD1cXhtFKku73N
-
DL Cheung A Troisi 2008 Phys Chem Chem Phys 10 5941 10.1039/b807750a 1:CAS:528:DC%2BD1cXhtFKku73N
-
(2008)
Phys Chem Chem Phys
, vol.10
, pp. 5941
-
-
Cheung, D.L.1
Troisi, A.2
-
6
-
-
84987058072
-
-
10.1002/pssb.2221750102
-
H Bassler 1993 Phys Stat Sol (b) 175 15 10.1002/pssb.2221750102
-
(1993)
Phys Stat Sol (B)
, vol.175
, pp. 15
-
-
Bassler, H.1
-
8
-
-
0346907277
-
-
10.1002/adfm.200304464 1:CAS:528:DC%2BD2cXhsFemtA%3D%3D
-
RD Hreha CP George A Haldi B Domercq M Malagoli S Barlow J-L Brédas B Kippelen SR Marder 2003 Adv Funct Mater 13 967 10.1002/adfm.200304464 1:CAS:528:DC%2BD2cXhsFemtA%3D%3D
-
(2003)
Adv Funct Mater
, vol.13
, pp. 967
-
-
Hreha, R.D.1
George, C.P.2
Haldi, A.3
Domercq, B.4
Malagoli, M.5
Barlow, S.6
Brédas, J.-L.7
Kippelen, B.8
Marder, S.R.9
-
9
-
-
57349114666
-
-
1:CAS:528:DC%2BD1cXhsFaksLnL
-
B Yang S-K Kim H Xu Y-I Park H Zhang C Gu F Shen C Wang D Liu X Liu M Hanif S Tang W Li F Li J Shen J-W Park Y Ma 2008 Chem Phys Chem 9 2601 1:CAS:528:DC%2BD1cXhsFaksLnL
-
(2008)
Chem Phys Chem
, vol.9
, pp. 2601
-
-
Yang, B.1
Kim, S.-K.2
Xu, H.3
Park, Y.-I.4
Zhang, H.5
Gu, C.6
Shen, F.7
Wang, C.8
Liu, D.9
Liu, X.10
Hanif, M.11
Tang, S.12
Li, W.13
Li, F.14
Shen, J.15
Park, J.-W.16
Ma, Y.17
-
13
-
-
73449101841
-
-
10.1016/j.chemphys.2009.10.005 1:CAS:528:DC%2BC3cXjtVCktQ%3D%3D
-
C Lee K Sohlberg 2010 Chem Phys 367 7 10.1016/j.chemphys.2009.10.005 1:CAS:528:DC%2BC3cXjtVCktQ%3D%3D
-
(2010)
Chem Phys
, vol.367
, pp. 7
-
-
Lee, C.1
Sohlberg, K.2
-
14
-
-
69949153113
-
-
10.1002/jcc.21194 1:CAS:528:DC%2BD1MXptleqs7s%3D
-
S Chen J Ma 2009 J Comp Chem 30 1959 10.1002/jcc.21194 1:CAS:528:DC%2BD1MXptleqs7s%3D
-
(2009)
J Comp Chem
, vol.30
, pp. 1959
-
-
Chen, S.1
Ma, J.2
-
15
-
-
0031192417
-
-
10.1021/jp9703768 1:CAS:528:DyaK2sXkt1WiurY%3D
-
EJ Baerends OV Gritsenko 1997 J Phys Chem A 101 5383 10.1021/jp9703768 1:CAS:528:DyaK2sXkt1WiurY%3D
-
(1997)
J Phys Chem A
, vol.101
, pp. 5383
-
-
Baerends, E.J.1
Gritsenko, O.V.2
-
18
-
-
23344450290
-
Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method
-
DOI 10.1063/1.1935514, 234111
-
M Kamiya H Sekino T Tsuneda K Hirao 2005 J Chem Phys 122 234111 10.1063/1.1935514 (Pubitemid 41100398)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.23
, pp. 1-10
-
-
Kamiya, M.1
Sekino, H.2
Tsuneda, T.3
Hirao, K.4
-
21
-
-
61649114049
-
-
10.1021/jp808234x 1:CAS:528:DC%2BD1MXmtFOhuw%3D%3D
-
O Loboda R Zaleśny A Avramopoulos JM Luis B Kirtman N Tagmatarchis H Reis MG Papadopoulos 2009 J Phys Chem A 113 1159 10.1021/jp808234x 1:CAS:528:DC%2BD1MXmtFOhuw%3D%3D
-
(2009)
J Phys Chem A
, vol.113
, pp. 1159
-
-
Loboda, O.1
Zaleśny, R.2
Avramopoulos, A.3
Luis, J.M.4
Kirtman, B.5
Tagmatarchis, N.6
Reis, H.7
Papadopoulos, M.G.8
-
22
-
-
34249059034
-
First hyperpolarizability of polymethineimine with long-range corrected functionals
-
DOI 10.1063/1.2741246
-
D Jacquemin EA Perpète M Medved G Scalmani MJ Frisch R Kobayashi C Adamo 2007 J Chem Phys 126 191108 10.1063/1.2741246 (Pubitemid 46794107)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.19
, pp. 191108
-
-
Jacquemin, D.1
Perpete, E.A.2
Medved, M.3
Scalmani, G.4
Frisch, M.J.5
Kobayashi, R.6
Adamo, C.7
-
26
-
-
0034318383
-
Asymptotic correction approach to improving approximate exchange-correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra
-
DOI 10.1063/1.1319649
-
ME Casida DR Salahub 2000 J Chem Phys 113 8918 10.1063/1.1319649 1:CAS:528:DC%2BD3cXnvFait70%3D (Pubitemid 32033357)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.20
, pp. 8918-8935
-
-
Casida, M.E.1
Salahub, D.R.2
-
27
-
-
33748375173
-
Density functional theory for charge transfer: The nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculations
-
DOI 10.1021/jp063376t
-
ZL Cai MJ Crossley JR Reimers R Kobayashi RD Amos 2006 J Phys Chem B 110 15624 10.1021/jp063376t 1:CAS:528:DC%2BD28XmvFWhtr4%3D (Pubitemid 44334767)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.31
, pp. 15624-15632
-
-
Cai, Z.-L.1
Crossley, M.J.2
Reimers, J.R.3
Kobayashi, R.4
Amos, R.D.5
-
30
-
-
0035934184
-
A long-range correction scheme for generalized-gradient-approximation exchange functionals
-
DOI 10.1063/1.1383587
-
H Iikura T Tsuneda T Yanai K Hirao 2001 J Chem Phys 115 3540 10.1063/1.1383587 1:CAS:528:DC%2BD3MXlvVehs7w%3D (Pubitemid 32795665)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.8
, pp. 3540-3544
-
-
Iikura, H.1
Tsuneda, T.2
Yanai, T.3
Hirao, K.4
-
31
-
-
3142771297
-
-
10.1016/j.cplett.2004.06.011 1:CAS:528:DC%2BD2cXlsFKgtbs%3D
-
T Yanai DP Tew NC Handy 2004 Chem Phys Lett 393 51 10.1016/j.cplett.2004. 06.011 1:CAS:528:DC%2BD2cXlsFKgtbs%3D
-
(2004)
Chem Phys Lett
, vol.393
, pp. 51
-
-
Yanai, T.1
Tew, D.P.2
Handy, N.C.3
-
33
-
-
33847301145
-
Semiconductors for organic transistors
-
DOI 10.1016/S1369-7021(07)70017-2, PII S1369702107700172
-
A Facchetti 2007 Mater Today 10 3 28 10.1016/S1369-7021(07)70017-2 1:CAS:528:DC%2BD2sXjs1WmsbY%3D (Pubitemid 46329550)
-
(2007)
Materials Today
, vol.10
, Issue.3
, pp. 28-37
-
-
Facchetti, A.1
-
36
-
-
34248578376
-
Charge carrier transporting molecular materials and their applications in devices
-
DOI 10.1021/cr050143+
-
Y Shirota H Kageyama 2007 Chem Rev 107 953 10.1021/cr050143+ 1:CAS:528:DC%2BD2sXjvFyjsLo%3D (Pubitemid 46744778)
-
(2007)
Chemical Reviews
, vol.107
, Issue.4
, pp. 953-1010
-
-
Shirota, Y.1
Kageyama, H.2
-
39
-
-
0035908561
-
Interchain interactions in organic π-conjugated materials: Impact on electronic structure, optical response, and charge transport
-
DOI 10.1002/1521-40 95(200107)1 3:14<105 3::AID-ADMA1 053>3.0.CO;2-7
-
J Cornil D Beljonne JP Calbert JL Brédas 2001 Adv Mater 13 14 1053 10.1002/1521-4095(200107)13:14<1053::AID-ADMA1053>3.0.CO;2-7 1:CAS:528:DC%2BD3MXlvVSnsbw%3D (Pubitemid 32698061)
-
(2001)
Advanced Materials
, vol.13
, Issue.14
, pp. 1053-1067
-
-
Cornil, J.1
Beljonne, D.2
Calbert, J.-P.3
Bredas, J.-L.4
-
40
-
-
2342567054
-
-
10.1016/j.cplett.2004.03.141 1:CAS:528:DC%2BD2cXjsl2qtL8%3D
-
J Huang M Kertesz 2004 Chem Phys Lett 390 110 10.1016/j.cplett.2004.03. 141 1:CAS:528:DC%2BD2cXjsl2qtL8%3D
-
(2004)
Chem Phys Lett
, vol.390
, pp. 110
-
-
Huang, J.1
Kertesz, M.2
-
41
-
-
23344437876
-
Validation of intermolecular transfer integral and bandwidth calculations for organic molecular materials
-
DOI 10.1063/1.1925611, 234707
-
J Huang M Kertesz 2005 J Chem Phys 122 234707 10.1063/1.1925611 (Pubitemid 41100436)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.23
, pp. 1-9
-
-
Huang, J.1
Kertesz, M.2
-
42
-
-
33746614482
-
-
10.1063/1.456153 1:CAS:528:DyaL1MXksVGmtrk%3D
-
TH Dunning 1989 J Chem Phys 90 1007 10.1063/1.456153 1:CAS:528: DyaL1MXksVGmtrk%3D
-
(1989)
J Chem Phys
, vol.90
, pp. 1007
-
-
Dunning, T.H.1
-
43
-
-
0035935884
-
Polarization consistent basis sets: Principles
-
DOI 10.1063/1.1413524
-
F Jensen 2001 J Chem Phys 115 9113 10.1063/1.1413524 1:CAS:528: DC%2BD3MXotlyis7w%3D (Pubitemid 33128016)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.20
, pp. 9113-9125
-
-
Jensen, F.1
-
44
-
-
21144473420
-
-
10.1103/RevModPhys.65.599 1:CAS:528:DyaK2cXhsVGns7o%3D
-
RA Marcus 1993 Rev Mod Phys 65 599 10.1103/RevModPhys.65.599 1:CAS:528:DyaK2cXhsVGns7o%3D
-
(1993)
Rev Mod Phys
, vol.65
, pp. 599
-
-
Marcus, R.A.1
-
47
-
-
38349098245
-
-
10.1080/01442350701782776 1:CAS:528:DC%2BD1cXps1amsQ%3D%3D
-
FC Grozema LDA Siebbeles 2008 Int Rev Phys Chem 27 87 10.1080/01442350701782776 1:CAS:528:DC%2BD1cXps1amsQ%3D%3D
-
(2008)
Int Rev Phys Chem
, vol.27
, pp. 87
-
-
Grozema, F.C.1
Siebbeles, L.D.A.2
-
49
-
-
27744512908
-
Liquid crystalline metal-free phthalocyanines designed for charge and exciton transport
-
DOI 10.1021/jp054778o
-
J Tant YH Geerts M Lehmann VD Cupere G Zucchi BW Laursen T Bjornholm V Lemaur V Marcq A Burquel E Hennebicq F Gardebien P Viville D Beljonne R Lazzaroni J Cornil 2005 J Chem Phys B 109 20315 10.1021/jp054778o 1:CAS:528:DC%2BD2MXhtVymu7bJ (Pubitemid 41609756)
-
(2005)
Journal of Physical Chemistry B
, vol.109
, Issue.43
, pp. 20315-20323
-
-
Tant, J.1
Geerts, Y.H.2
Lehmann, M.3
De Cupere, V.4
Zucchi, G.5
Laursen, B.W.6
Bjornholm, T.7
Lemaur, V.8
Marcq, V.9
Burquel, A.10
Hennebicq, E.11
Gardebien, F.12
Viville, P.13
Beljonne, D.14
Lazzaroni, R.15
Cornil, J.16
-
50
-
-
77149172309
-
-
10.1021/jz900042x 1:CAS:528:DC%2BD1MXhtl2qtbvI
-
YC Chang I Chao 2010 J Phys Chem Lett 1 116 10.1021/jz900042x 1:CAS:528:DC%2BD1MXhtl2qtbvI
-
(2010)
J Phys Chem Lett
, vol.1
, pp. 116
-
-
Chang, Y.C.1
Chao, I.2
-
51
-
-
0033450581
-
-
1:CAS:528:DyaK1MXkt1GqtLw%3D
-
D Seo R Hoffmann 1999 Theor Chem Acc 102 23 1:CAS:528:DyaK1MXkt1GqtLw%3D
-
(1999)
Theor Chem Acc
, vol.102
, pp. 23
-
-
Seo, D.1
Hoffmann, R.2
-
52
-
-
84856542277
-
-
Unpublished results
-
Mikołajczyk M, Zaleśny R, Czyznikowska Z, Bartkowiak W, Toman P, Leszczynski J (2009). Unpublished results
-
(2009)
-
-
Mikołajczyk, M.Z.1
-
53
-
-
33745594608
-
Electroabsorption spectra of linear porphyrin arrays - A model study
-
DOI 10.1080/00268970600655485, PII U528122505877
-
A Stradomska P Petelenz 2006 Mol Phys 104 2063 10.1080/00268970600655485 1:CAS:528:DC%2BD28XntFegurs%3D (Pubitemid 43982589)
-
(2006)
Molecular Physics
, vol.104
, Issue.13-14
, pp. 2063-2071
-
-
Stradomska, A.1
Petelenz, P.2
-
54
-
-
2342644730
-
-
10.1016/j.orgel.2003.12.003 1:CAS:528:DC%2BD2cXktVehu7Y%3D
-
P Petelenz 2004 Org Electron 5 115 10.1016/j.orgel.2003.12.003 1:CAS:528:DC%2BD2cXktVehu7Y%3D
-
(2004)
Org Electron
, vol.5
, pp. 115
-
-
Petelenz, P.1
|