-
1
-
-
0001429474
-
-
ed. A. Mangini, Pergamon, Oxford
-
E. Lippert, W. Lüder and H. Boos, Advances in Molecular Spectroscopy, ed., A. Mangini, Pergamon, Oxford, 1962, pp. 443-454
-
(1962)
Advances in Molecular Spectroscopy
, pp. 443-454
-
-
Lippert, E.1
Lüder, W.2
Boos, H.3
-
2
-
-
49549163667
-
Reinterpretation of the Anomalous Fluorescence of p-(Dimethylamino) benzonitrile
-
K. Rotkiewicz K. H. Grellmann Z. R. Grabowski Reinterpretation of the Anomalous Fluorescence of p-(Dimethylamino)benzonitrile Chem. Phys. Lett. 1973 19 315 318
-
(1973)
Chem. Phys. Lett.
, vol.19
, pp. 315-318
-
-
Rotkiewicz, K.1
Grellmann, K.H.2
Grabowski, Z.R.3
-
3
-
-
0001335830
-
Twisted intramolecular charge transfer states (TICT). A new class of excited states with a full charge separation
-
Z. R. Grabowski K. Rotkiewicz A. Siemiarczuk D. J. Cowley W. Baumann Twisted intramolecular charge transfer states (TICT). A new class of excited states with a full charge separation Nouv. J. Chim. 1979 3 443 454
-
(1979)
Nouv. J. Chim.
, vol.3
, pp. 443-454
-
-
Grabowski, Z.R.1
Rotkiewicz, K.2
Siemiarczuk, A.3
Cowley, D.J.4
Baumann, W.5
-
4
-
-
0000863651
-
0 Energy Gap and Jump Probability in Double-Bond Cis-Trans Photoisomerization. A General Rule
-
0 Energy Gap and Jump Probability in Double-Bond Cis-Trans Photoisomerization. A General Rule Chem. Phys. Lett. 1984 104 440 443
-
(1984)
Chem. Phys. Lett.
, vol.104
, pp. 440-443
-
-
Bonaić-Koutecký, V.1
Köhler, J.2
Michl, J.3
-
7
-
-
0142231517
-
Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures
-
Z. R. Grabowski K. Rotkiewicz W. Rettig Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures Chem. Rev. 2003 103 3899 4032
-
(2003)
Chem. Rev.
, vol.103
, pp. 3899-4032
-
-
Grabowski, Z.R.1
Rotkiewicz, K.2
Rettig, W.3
-
8
-
-
0000280640
-
Theoretical Study of the Internal Charge Transfer in Aminobenzonitriles
-
L. Serrano-Andrés M. Merchán B. O. Roos R. Lindh Theoretical Study of the Internal Charge Transfer in Aminobenzonitriles J. Am. Chem. Soc. 1995 117 3189 3204
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 3189-3204
-
-
Serrano-Andrés, L.1
Merchán, M.2
Roos, B.O.3
Lindh, R.4
-
9
-
-
0037139561
-
An experimental test of C-N bond twisting in the TICT state: Syn-anti photoisomerization in 2-(N-methyl-N-isopropylamino)-5-cyanopyridine
-
DOI 10.1021/ja012326t
-
J. Dobkowski J. Wójcik W. Koźmińiski R. Kołos J. Waluk J. Michl An Experimental Test of C-N Bond Twisting in the TICT State: Syn-Anti Photoisomerization in 2-(N-Methyl-N-isopropylamino)-5-cyanopyridine J. Am. Chem. Soc. 2002 124 2406 2407 (Pubitemid 34251734)
-
(2002)
Journal of the American Chemical Society
, vol.124
, Issue.11
, pp. 2406-2407
-
-
Dobkowski, J.1
Wojcik, J.2
Kozminski, W.3
Kolos, R.4
Waluk, J.5
Michl, J.6
-
10
-
-
0037444346
-
Electronic spectroscopy and photophysics of 2-(N-methyl-N-isopropylamino) -5-cyanopyridine and related compounds
-
J. Dobkowski J. Michl J. Waluk Electronic spectroscopy and photophysics of 2-(N-methyl-N-isopropylamino)-5-cyanopyridine and related compounds Phys. Chem. Chem. Phys. 2003 5 1027 1031
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 1027-1031
-
-
Dobkowski, J.1
Michl, J.2
Waluk, J.3
-
11
-
-
1242269267
-
Intramolecular Charge Transfer with the Planarized 4-Aminobenzonitrile 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6)
-
K. A. Zachariasse S. I. Druzhinin W. Bosch R. Machinek Intramolecular Charge Transfer with the Planarized 4-Aminobenzonitrile 1-tert-Butyl-6-cyano-1, 2,3,4-tetrahydroquinoline (NTC6) J. Am. Chem. Soc. 2004 126 1705 1715 (Pubitemid 38222755)
-
(2004)
Journal of the American Chemical Society
, vol.126
, Issue.6
, pp. 1705-1715
-
-
Zachariasse, K.A.1
Druzhinin, S.I.2
Bosch, W.3
Machinek, R.4
-
12
-
-
0002602510
-
The PICT Model for Dual Fluorescence of Aminobenzonitriles
-
K. A. Zachariasse The PICT Model for Dual Fluorescence of Aminobenzonitriles Chem. Phys. Lett. 2000 320 8 13
-
(2000)
Chem. Phys. Lett.
, vol.320
, pp. 8-13
-
-
Zachariasse, K.A.1
-
13
-
-
33845425509
-
Intramolecular charge-transfer mechanism in quinolidines: The role of the amino twist angle
-
DOI 10.1021/ja0642010
-
C. Hättig A. Hellweg A. Köhn Intramolecular Charge-Transfer Mechanism in Quinolidines: The Role of the Amino Twist Angle J. Am. Chem. Soc. 2006 128 15672 15682 (Pubitemid 44894108)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.49
, pp. 15672-15682
-
-
Hattig, C.1
Hellweg, A.2
Kohn, A.3
-
14
-
-
33750424675
-
Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives
-
DOI 10.1021/jp062926k
-
I. Gómez Y. Mercier M. Reguero Theoretical Investigation of Luminescence Behavior as a Function of Alkyl Chain Size in 4-Aminobenzonitrile Alicyclic Derivatives J. Phys. Chem. A 2006 110 11455 11461 (Pubitemid 44641857)
-
(2006)
Journal of Physical Chemistry A
, vol.110
, Issue.40
, pp. 11455-11461
-
-
Gomez, I.1
Mercier, Y.2
Reguero, M.3
-
15
-
-
2942565685
-
On the nature of the low-lying singlet states of 4-(Dimethyl-amino) benzonitrile
-
DOI 10.1021/ja0490572
-
A. Köhn C. Hättig On the Nature of the Low-Lying Singlet States of 4-(Dimethylamino)benzonitrile J. Am. Chem. Soc. 2004 126 7399 7410 (Pubitemid 38747791)
-
(2004)
Journal of the American Chemical Society
, vol.126
, Issue.23
, pp. 7399-7410
-
-
Kohn, A.1
Hattig, C.2
-
16
-
-
33644934312
-
The Electronic Origin of the Dual Fluorescence in Donor-Acceptor Substituted Benzene Derivatives
-
S. Cogan S. Zilberg Y. Haas The Electronic Origin of the Dual Fluorescence in Donor-Acceptor Substituted Benzene Derivatives J. Am. Chem. Soc. 2006 128 3335 3345
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 3335-3345
-
-
Cogan, S.1
Zilberg, S.2
Haas, Y.3
-
17
-
-
42649094101
-
Conical Intersections and the Electronic Structure of the Excited States of N-PhenylPyrrole a Prototype Molecule Exhibiting Dual Fluorescence
-
Y. Haas S. Zilberg B. Dick Conical Intersections and the Electronic Structure of the Excited States of N-PhenylPyrrole a Prototype Molecule Exhibiting Dual Fluorescence Pol. J. Chem. 2008 82 773 793
-
(2008)
Pol. J. Chem.
, vol.82
, pp. 773-793
-
-
Haas, Y.1
Zilberg, S.2
Dick, B.3
-
18
-
-
0033459067
-
Time-Resolved Spectroscopy of DMABN and its Cage Derivatives 6-Cyanobenzoquinuclidine (CBQ) and Benzoquinuclidine (BQ)
-
T. Okada M. Uesugi G. Köhler K. Rechthaler K. Rotkiewicz W. Rettig G. Grabner Time-Resolved Spectroscopy of DMABN and its Cage Derivatives 6-Cyanobenzoquinuclidine (CBQ) and Benzoquinuclidine (BQ) Chem. Phys. 1999 241 327 337
-
(1999)
Chem. Phys.
, vol.241
, pp. 327-337
-
-
Okada, T.1
Uesugi, M.2
Köhler, G.3
Rechthaler, K.4
Rotkiewicz, K.5
Rettig, W.6
Grabner, G.7
-
19
-
-
0035250678
-
A Determination of the Structure of the Intramolecular Charge Transfer State of 4-Dimethylaminobenzonitrile (DMABN) by Time-Resolved Resonance Raman Spectroscopy
-
W. M. Kwok C. Ma P. Matousek A. W. Parker D. Phillips W. T. Toner M. Towrie S. Umapathy A Determination of the Structure of the Intramolecular Charge Transfer State of 4-Dimethylaminobenzonitrile (DMABN) by Time-Resolved Resonance Raman Spectroscopy J. Phys. Chem. A 2001 105 984 990
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 984-990
-
-
Kwok, W.M.1
Ma, C.2
Matousek, P.3
Parker, A.W.4
Phillips, D.5
Toner, W.T.6
Towrie, M.7
Umapathy, S.8
-
20
-
-
0031248120
-
Role of intramolecular torsion and solvent dynamics in the charge-transfer kinetics in triphenylphosphine oxide derivatives and DMABN
-
P. Changenet P. Plaza M. Martin Y. H. Meyer Role of Intramolecular Torsion and Solvent Dynamics in the Charge-Transfer Kinetics in Triphenylphosphine Oxide Derivatives and DMABN J. Phys. Chem. A 1997 101 8186 8194 (Pubitemid 127581003)
-
(1997)
Journal of Physical Chemistry A
, vol.101
, Issue.44
, pp. 8186-8194
-
-
Changenet, P.1
Plaza, P.2
Martin, M.M.3
Meyer, Y.H.4
-
23
-
-
67651163805
-
Do Fluorescence and Transient Absorption Probe the Same Intramolecular Charge Transfer State of 4 (Dimethylamino)benzonitrile?
-
T. Gustavsson P. B. Coto L. Serrano-Andrés T. Fujiwara E. C. Lim Do Fluorescence and Transient Absorption Probe the Same Intramolecular Charge Transfer State of 4 (Dimethylamino)benzonitrile? J. Chem. Phys. 2009 131 031101 031104
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 031101-031104
-
-
Gustavsson, T.1
Coto, P.B.2
Serrano-Andrés, L.3
Fujiwara, T.4
Lim, E.C.5
-
24
-
-
42949178467
-
The Low-Lying πσ* State and its Role in the Intramolecular Charge Transfer of Aminobenzonitriles and Aminobenzethyne
-
J.-K. Lee T. Fujiwara W. G. Kofron M. Z. Zgierski E. C. Lim The Low-Lying πσ* State and its Role in the Intramolecular Charge Transfer of Aminobenzonitriles and Aminobenzethyne J. Chem. Phys. 2008 128 164512(11)
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 16451211
-
-
Lee, J.-K.1
Fujiwara, T.2
Kofron, W.G.3
Zgierski, M.Z.4
Lim, E.C.5
-
25
-
-
72049114410
-
Intramolecular charge transfer in the excited state of 4-dimethylaminobenzaldehyde and 4-dimethylamino-acetophenone
-
T. Fujiwara J.-K. Lee M. Z. Zgierski E. C. Lim Intramolecular charge transfer in the excited state of 4-dimethylaminobenzaldehyde and 4-dimethylamino-acetophenone Chem. Phys. Lett. 2009 481 78 82
-
(2009)
Chem. Phys. Lett.
, vol.481
, pp. 78-82
-
-
Fujiwara, T.1
Lee, J.-K.2
Zgierski, M.Z.3
Lim, E.C.4
-
26
-
-
80052338846
-
Coupled Electron and Proton Transfer Processes in 4-Dimethylamino-2- hydroxy-benzaldehyde
-
submitted
-
M. Z. Zgierski T. Fujiwara E. C. Lim Coupled Electron and Proton Transfer Processes in 4-Dimethylamino-2-hydroxy-benzaldehyde J. Phys. Chem. A submitted
-
J. Phys. Chem. A
-
-
Zgierski, M.Z.1
Fujiwara, T.2
Lim, E.C.3
-
27
-
-
24344504763
-
-
ed. v. R. Schleyer, R. Schreiner, H. F. Schaefer III, W. L. Jorgensen, W. Thiel and R. C. Glen, Wiley, Chichester (U.K.)
-
L. Serrano-Andrés and M. Merchán, Spectroscopy: Applications Encyclopedia of Computational Chemistry, ed., P. v. R. Schleyer, P. R. Schreiner, H. F. Schaefer III, W. L. Jorgensen, W. Thiel, and, R. C. Glen, Wiley, Chichester (U.K.), 2004
-
(2004)
Spectroscopy: Applications Encyclopedia of Computational Chemistry
-
-
Serrano-Andrés, L.1
Merchán, M.2
-
28
-
-
36448998619
-
Second-order Perturbation Theory with a Complete Active Space Self-consistent Field Reference Function
-
K. Andersson P.-Å. Malmqvist B. O. Roos Second-order Perturbation Theory with a Complete Active Space Self-consistent Field Reference Function J. Chem. Phys. 1992 96 1218 1226
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1218-1226
-
-
Andersson, K.1
Malmqvist, P.-A.2
Roos, B.O.3
-
29
-
-
49149090180
-
Multiconfigurational Perturbation Theory: Applications in Electronic Spectroscopy
-
New Methods in Computational Quantum Mechanics, John Wiley & Sons, Oxford
-
B.O. Roos, M.P. Fülscher, P.-Å. Malmqvist, M. Merchán and L. Serrano-Andrés, Multiconfigurational Perturbation Theory: Applications in Electronic Spectroscopy, Adv. Chem. Phys., New Methods in Computational Quantum Mechanics, John Wiley & Sons, Oxford, 1996, vol. 93, pp. 219-331
-
(1996)
Adv. Chem. Phys.
, vol.93
, pp. 219-331
-
-
Roos, B.O.1
Fülscher, M.P.2
Malmqvist, P.-Å.3
Merchán, M.4
Serrano-Andrés, L.5
-
32
-
-
0038910690
-
Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions. IV. Medium size basis sets for the atoms H-Kr
-
K. Pierloot B. Dumez P. O. Widmark B. O. Roos Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions. IV. Medium size basis sets for the atoms H-Kr Theor. Chim. Acta 1995 90 87 114
-
(1995)
Theor. Chim. Acta
, vol.90
, pp. 87-114
-
-
Pierloot, K.1
Dumez, B.2
Widmark, P.O.3
Roos, B.O.4
-
33
-
-
11744256643
-
Molecular interactions in solution: An overview of methods based on continuous distributions of the solvent
-
J. Tomasi M. Persico Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent Chem. Rev. 1994 94 2027 2094 (Pubitemid 124000195)
-
(1994)
Chemical Reviews
, vol.94
, Issue.7
, pp. 2027-2094
-
-
Tomasi, J.1
Persico, M.2
-
34
-
-
0031206457
-
Multiconfiguration perturbation theory with imaginary level shift
-
PII S0009261497006696
-
N. Forsberg P.-Å. Malmqvist Multiconfigurational Perturbation Theory with Imaginary Level Shift Chem. Phys. Lett. 1997 274 196 204 (Pubitemid 127162842)
-
(1997)
Chemical Physics Letters
, vol.274
, Issue.1-3
, pp. 196-204
-
-
Forsberg, N.1
Malmqvist, P.-A.2
-
35
-
-
72449122456
-
MOLCAS 7: The Next Generation
-
F. Aquilante L. De Vico N. Ferré G. Ghigo P.-Å. Malmqvist T. Pedersen M. Pitonak M. Reiher B. O. Roos L. Serrano-Andrés M. Urban V. Veryazov R. Lindh MOLCAS 7: The Next Generation J. Comput. Chem. 2010 31 224 247
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 224-247
-
-
Aquilante, F.1
De Vico, L.2
Ferré, N.3
Ghigo, G.4
Malmqvist, P.-Å.5
Pedersen, T.6
Pitonak, M.7
Reiher, M.8
Roos, B.O.9
Serrano-Andrés, L.10
Urban, M.11
Veryazov, V.12
Lindh, R.13
-
36
-
-
0000761173
-
Ab initio investigation of reaction pathways for intramolecular charge transfer in dimethylanilino derivatives
-
A. L. Sobolewski W. Sudholt W. Domcke Ab initio Investigation of Reaction Pathways for Intramolecular Charge Transfer in Dimethylanilino Derivatives J. Phys. Chem. A 1998 102 2716 2722 (Pubitemid 128591362)
-
(1998)
Journal of Physical Chemistry A
, vol.102
, Issue.16
, pp. 2716-2722
-
-
Sobolewski, A.L.1
Sudholt, W.2
Domcke, W.3
-
37
-
-
18744409064
-
Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist
-
DOI 10.1021/ja042413w
-
I. Gómez M. Reguero M. Boggio-Pasqua M. A. Robb Intramolecular Charge Transfer in 4-Aminobenzonitriles does not necessarily Need the Twist J. Am. Chem. Soc. 2005 127 7119 7129 (Pubitemid 40676739)
-
(2005)
Journal of the American Chemical Society
, vol.127
, Issue.19
, pp. 7119-7129
-
-
Gomez, I.1
Reguero, M.2
Boggio-Pasqua, M.3
Robb, M.A.4
-
38
-
-
4344644813
-
The Role of πσ* State in Intramolecular Electron-Transfer Dynamics of 4-Dimethylaminobenzonitrile and Related Molecules
-
M. Z. Zgierski E. C. Lim The Role of πσ* State in Intramolecular Electron-Transfer Dynamics of 4-Dimethylaminobenzonitrile and Related Molecules J. Chem. Phys. 2004 121 2462 2465
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 2462-2465
-
-
Zgierski, M.Z.1
Lim, E.C.2
-
39
-
-
18644362149
-
Electronic and Vibrational Spectra of the Low-Lying πσ* State of 4-Dimethylaminobenzonitrile: Comparison of Theoretical Predictions with Experiment
-
M. Z. Zgierski E. C. Lim Electronic and Vibrational Spectra of the Low-Lying πσ* State of 4-Dimethylaminobenzonitrile: Comparison of Theoretical Predictions with Experiment J. Chem. Phys. 2005 122 111103
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 111103
-
-
Zgierski, M.Z.1
Lim, E.C.2
-
40
-
-
79953293380
-
The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile
-
T. Fujiwara M. Z. Zgierski E. C. Lim EC The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile Phys. Chem. Chem. Phys. 2011 13 6779 6783
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 6779-6783
-
-
Fujiwara, T.1
Zgierski, M.Z.2
Lim Ec, E.C.3
|