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Volumn 117, Issue 32, 2013, Pages 7298-7307

Quantum dynamics study of photoexcited aniline

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; DYNAMICS; HAMILTONIANS; QUANTUM THEORY;

EID: 84882424418     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp401116c     Document Type: Article
Times cited : (28)

References (27)
  • 4
    • 33745158285 scopus 로고    scopus 로고
    • The Role of πσ Excited States in the Photodissociation of Heteroaromatic Molecules
    • Ashfold, M. N. R.; Cronin, B.; Devine, A. L.; Dixon, R. N.; Nix, M. G. D. The Role of πσ* Excited States in the Photodissociation of Heteroaromatic Molecules Science 2006, 312, 1637-1640
    • (2006) Science , vol.312 , pp. 1637-1640
    • Ashfold, M.N.R.1    Cronin, B.2    Devine, A.L.3    Dixon, R.N.4    Nix, M.G.D.5
  • 5
    • 0001393708 scopus 로고
    • The Vacuum Ultraviolet Absorption Spectra of Aniline and Some of Its N-Derivatives
    • Kimura, K.; Tsubomura, H.; Nagakura, S. The Vacuum Ultraviolet Absorption Spectra of Aniline and Some of Its N-Derivatives Bull. Chem. Soc. Jpn. 1964, 37, 1337-1346
    • (1964) Bull. Chem. Soc. Jpn. , vol.37 , pp. 1337-1346
    • Kimura, K.1    Tsubomura, H.2    Nagakura, S.3
  • 6
    • 84915064603 scopus 로고
    • Ultra-Violet Absorption Spectra of Various Mono-Substituted Benzenes
    • Kimura, K.; Nagakura, S. Ultra-Violet Absorption Spectra of Various Mono-Substituted Benzenes Mol. Phys. 1965, 9, 117-135
    • (1965) Mol. Phys. , vol.9 , pp. 117-135
    • Kimura, K.1    Nagakura, S.2
  • 7
    • 0036678348 scopus 로고    scopus 로고
    • Excited and Ionized States of Aniline: Symmetry Adapted Cluster Configuration Interaction Theoretical Study
    • Honda, Y.; Hada, M.; Ehara, M.; Nakatsuji, H. Excited and Ionized States of Aniline: Symmetry Adapted Cluster Configuration Interaction Theoretical Study J. Chem. Phys. 2002, 117, 2045-2052
    • (2002) J. Chem. Phys. , vol.117 , pp. 2045-2052
    • Honda, Y.1    Hada, M.2    Ehara, M.3    Nakatsuji, H.4
  • 8
    • 0037153245 scopus 로고    scopus 로고
    • A New Electronic State of Aniline Observed in the Transient IR Absorption Spectrum from S1 in a Supersonic Jet
    • Ebata, T.; Minejima, C.; Mikami, N. A New Electronic State of Aniline Observed in the Transient IR Absorption Spectrum from S1 in a Supersonic Jet J. Phys. Chem. A 2002, 106, 11070-11074
    • (2002) J. Phys. Chem. A , vol.106 , pp. 11070-11074
    • Ebata, T.1    Minejima, C.2    Mikami, N.3
  • 10
    • 80051697037 scopus 로고    scopus 로고
    • Ultrafast Dynamics of Aniline in the 294-234 nm Excitation Range: The Role of the πσ* State
    • Montero, R.; Conde, A. P.; Ovejas, V.; Martínez, R.; Castaño, F.; Longarte, A. Ultrafast Dynamics of Aniline in the 294-234 nm Excitation Range: the Role of the πσ* State J. Chem. Phys. 2011, 135, 054308
    • (2011) J. Chem. Phys. , vol.135 , pp. 054308
    • Montero, R.1    Conde, A.P.2    Ovejas, V.3    Martínez, R.4    Castaño, F.5    Longarte, A.6
  • 12
    • 84867004684 scopus 로고    scopus 로고
    • Fast Dynamics of Aniline following 269-238 nm Excitation and the Role of the S2(π3s/πσ) State
    • Spesyvtsev, R.; Kirkby, O. M.; Fielding, H. H. Fast Dynamics of Aniline following 269-238 nm Excitation and the Role of the S2(π3s/πσ) State Faraday Discuss. 2012, 157, 165-179
    • (2012) Faraday Discuss. , vol.157 , pp. 165-179
    • Spesyvtsev, R.1    Kirkby, O.M.2    Fielding, H.H.3
  • 13
    • 84863662851 scopus 로고    scopus 로고
    • Shedding New Night on the Role of the Rydberg State in the Photochemistry of Aniline
    • Spesyvtsev, R.; Kirkby, O. M.; Vacher, M.; Fielding, H. H. Shedding New Night on the Role of the Rydberg State in the Photochemistry of Aniline Phys. Chem. Chem. Phys. 2012, 14, 9942-9947
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 9942-9947
    • Spesyvtsev, R.1    Kirkby, O.M.2    Vacher, M.3    Fielding, H.H.4
  • 14
    • 0001980554 scopus 로고
    • Multi-Mode Molecular Dynamics beyond the Born-Oppenheimer Approximation
    • Köppel, H.; Domcke, W.; Cederbaum, L. S. Multi-Mode Molecular Dynamics beyond the Born-Oppenheimer Approximation Adv. Chem. Phys. 1984, 57, 59-246
    • (1984) Adv. Chem. Phys. , vol.57 , pp. 59-246
    • Köppel, H.1    Domcke, W.2    Cederbaum, L.S.3
  • 15
    • 84983940646 scopus 로고
    • Multimode Vibronic Coupling Effects in Molecules
    • Cederbaum, L. S.; Köppel, H.; Domcke, W. Multimode Vibronic Coupling Effects in Molecules Int. J. Quantum Chem. 1981, 20 (Supp15) 251-267
    • (1981) Int. J. Quantum Chem. , vol.20 , Issue.SUPPL. 15 , pp. 251-267
    • Cederbaum, L.S.1    Köppel, H.2    Domcke, W.3
  • 17
    • 33847389465 scopus 로고    scopus 로고
    • Coupled-Cluster Theory in Quantum Chemistry
    • Bartlett, R. J.; Musiał, M. Coupled-Cluster Theory in Quantum Chemistry Rev. Mod. Phys. 2007, 79, 291-352
    • (2007) Rev. Mod. Phys. , vol.79 , pp. 291-352
    • Bartlett, R.J.1    Musiał, M.2
  • 18
    • 0033636381 scopus 로고    scopus 로고
    • The Multiconfiguration Time-Dependent Hartree (MCTDH) Method: A Highly Efficient Algorithm for Propagating Wavepackets
    • Beck, M. H.; Jäckle, A.; Worth, G. A.; Meyer, H. D. The Multiconfiguration Time-Dependent Hartree (MCTDH) Method: A Highly Efficient Algorithm for Propagating Wavepackets Phys. Rep. 2000, 324, 1-105
    • (2000) Phys. Rep. , vol.324 , pp. 1-105
    • Beck, M.H.1    Jäckle, A.2    Worth, G.A.3    Meyer, H.D.4
  • 19
    • 47549107229 scopus 로고    scopus 로고
    • Using the MCTDH Wavepacket Propagation Method to Describe Multimode Non-Adiabatic Dynamics
    • Worth, G. A.; Meyer, H.-D.; Köppel, H.; Cederbaum, L. S.; Burghardt, I. Using the MCTDH Wavepacket Propagation Method to Describe Multimode Non-Adiabatic Dynamics Int. Rev. Phys. Chem. 2008, 27, 569-606
    • (2008) Int. Rev. Phys. Chem. , vol.27 , pp. 569-606
    • Worth, G.A.1    Meyer, H.-D.2    Köppel, H.3    Cederbaum, L.S.4    Burghardt, I.5
  • 20
    • 0000450531 scopus 로고
    • Generalized Discrete Variable Approximation in Quantum Mechanics
    • Light, J. C.; Hamilton, I. P.; Lill, J. V. Generalized Discrete Variable Approximation in Quantum Mechanics J. Chem. Phys. 1985, 82, 1400-1409
    • (1985) J. Chem. Phys. , vol.82 , pp. 1400-1409
    • Light, J.C.1    Hamilton, I.P.2    Lill, J.V.3
  • 21
    • 0040532910 scopus 로고
    • A Novel Discrete Variable Representation for Quantum Mechanical Reactive Scattering via the Smatrix Kohn Method
    • Colbert, D. T.; Miller, W. H. A Novel Discrete Variable Representation for Quantum Mechanical Reactive Scattering via the Smatrix Kohn Method J. Chem. Phys. 1992, 96, 1982-1991
    • (1992) J. Chem. Phys. , vol.96 , pp. 1982-1991
    • Colbert, D.T.1    Miller, W.H.2
  • 22
    • 0342778181 scopus 로고
    • Absorbing Boundaries for Wave Propagation Problems
    • Kosloff, R.; Kosloff, D. Absorbing Boundaries for Wave Propagation Problems J. Comput. Phys. 1986, 63, 363-376
    • (1986) J. Comput. Phys. , vol.63 , pp. 363-376
    • Kosloff, R.1    Kosloff, D.2
  • 23
    • 0000844742 scopus 로고
    • A Direct Relaxation Method for Calculating Eigenfunctions and Eigenvalues of the Schrödinger Equation on a Grid
    • Kosloff, R.; Tal-Ezer, H. A Direct Relaxation Method for Calculating Eigenfunctions and Eigenvalues of the Schrödinger Equation on a Grid Chem. Phys. Lett. 1986, 127, 223-230
    • (1986) Chem. Phys. Lett. , vol.127 , pp. 223-230
    • Kosloff, R.1    Tal-Ezer, H.2
  • 24
    • 0038626673 scopus 로고    scopus 로고
    • revision B.05; Gaussian, Inc. Wallingford, CT
    • Frisch, M. J.; Gaussian 03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian 03
    • Frisch, M.J.1
  • 25
    • 1242287436 scopus 로고    scopus 로고
    • New Coupled-Cluster Methods with Singles, Doubles, and Noniterative Triples for High Accuracy Calculations of Excited Electronic States
    • Kowalski, K.; Piecuch, P. New Coupled-Cluster Methods with Singles, Doubles, and Noniterative Triples for High Accuracy Calculations of Excited Electronic States J. Chem. Phys. 2004, 120, 1715-1738
    • (2004) J. Chem. Phys. , vol.120 , pp. 1715-1738
    • Kowalski, K.1    Piecuch, P.2
  • 26
    • 69149097500 scopus 로고    scopus 로고
    • A Model Hamiltonian to Simulate the Complex Photochemistry of Benzene II
    • Penfold, T. J.; Worth, G. A. A Model Hamiltonian to Simulate the Complex Photochemistry of Benzene II J. Chem. Phys. 2009, 131, 064303
    • (2009) J. Chem. Phys. , vol.131 , pp. 064303
    • Penfold, T.J.1    Worth, G.A.2
  • 27
    • 78649690686 scopus 로고    scopus 로고
    • Competing Ultrafast Intersystem Crossing and Internal Conversion in the "channel 3" Region of Benzene
    • Minns, R. S.; Parker, D. S. N.; Penfold, T. J.; Worth, G. A.; Fielding, H. H. Competing Ultrafast Intersystem Crossing and Internal Conversion in the "Channel 3" Region of Benzene Phys. Chem. Chem. Phys. 2010, 12, 15607-15615
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 15607
    • Minns, R.S.1    Parker, D.S.N.2    Penfold, T.J.3    Worth, G.A.4    Fielding, H.H.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.