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Volumn 78, Issue 1-3, 2005, Pages 17-24

Excited state molecular dynamics of retinal model chromophores

Author keywords

CASSCF; Hetero substituted polyenes; Molecular dynamics; Photo isomerization; Retinal

Indexed keywords

CHROMOPHORES; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); GROUND STATE; ISOMERIZATION; MOLECULAR VIBRATIONS; POSITIVE IONS; POTENTIAL ENERGY; REACTION KINETICS; TOPOLOGY;

EID: 12344263615     PISSN: 01411594     EISSN: None     Source Type: Journal    
DOI: 10.1080/01411590412331316690     Document Type: Conference Paper
Times cited : (22)

References (25)
  • 1
    • 33947564300 scopus 로고
    • The crossing of potential energy surfaces
    • E. Teller, The crossing of potential energy surfaces. J. Phys. Chem. 41 109 (1937).
    • (1937) J. Phys. Chem. , vol.41 , pp. 109
    • Teller, E.1
  • 2
    • 0002532117 scopus 로고
    • Intersection of potential energy surfaces in polyatomic molecules
    • G. Herzberg and H.C. Longuet-Higgins, Intersection of potential energy surfaces in polyatomic molecules. Discuss. Faraday Soc. 35 77 (1963).
    • (1963) Discuss. Faraday Soc. , vol.35 , pp. 77
    • Herzberg, G.1    Longuet-Higgins, H.C.2
  • 4
    • 0001068353 scopus 로고
    • Konische Durchdringungen und der Mechanismus von SingulettPhotoreaktionen
    • M. Kiessinger, Konische Durchdringungen und der Mechanismus von SingulettPhotoreaktionen. Angew. Chem. 107 597 (1995).
    • (1995) Angew. Chem. , vol.107 , pp. 597
    • Kiessinger, M.1
  • 6
    • 0001234390 scopus 로고    scopus 로고
    • The azulene S state decays via a conical intersection: A CASSCF study with MMVB dynamics
    • M.J. Bearpark, F. Bernardi, S. Clifford, M. Olivucci, et al. The azulene S state decays via a conical intersection: a CASSCF study with MMVB dynamics. J. Am.Chem. Soc. 118 169 (1996).
    • (1996) J. Am.Chem. Soc. , vol.118 , pp. 169
    • Bearpark, M.J.1    Bernardi, F.2    Clifford, S.3    Olivucci, M.4
  • 7
    • 0031591345 scopus 로고    scopus 로고
    • The role of conical intersections and excited state reaction paths in photochemical pericyclic reactions
    • F. Bernardi, M. Olivucci and M.A. Robb, The role of conical intersections and excited state reaction paths in photochemical pericyclic reactions. Photochem. Photobiol. A 105 365 (1997).
    • (1997) Photochem. Photobiol. A , vol.105 , pp. 365
    • Bernardi, F.1    Olivucci, M.2    Robb, M.A.3
  • 8
    • 0030727107 scopus 로고    scopus 로고
    • Conical intersection mechanism for photochemical ring opening in benzospiropyran compounds
    • P. Celani, F. Bernardi, M. Olivucci and M.A. Robb, Conical intersection mechanism for photochemical ring opening in benzospiropyran compounds. J. Am. Chem. Soc. 119 10815 (1997).
    • (1997) J. Am. Chem. Soc. , vol.119 , pp. 10815
    • Celani, P.1    Bernardi, F.2    Olivucci, M.3    Robb, M.A.4
  • 9
    • 0032525645 scopus 로고    scopus 로고
    • Pathway approach to ultrafast photochemistry: Potential surfaces, conical intersections and isomerizations of small polyenes
    • W. Fuß, S. Lochbrunner, A. Müller, T. Schikarski, et al. Pathway approach to ultrafast photochemistry: potential surfaces, conical intersections and isomerizations of small polyenes. Chem. Phys. 232 161 (1998).
    • (1998) Chem. Phys. , vol.232 , pp. 161
    • Fuß, W.1    Lochbrunner, S.2    Müller, A.3    Schikarski, T.4
  • 10
    • 0026091595 scopus 로고
    • The first step in vision: Femtosecond isomerization of rhodopsin
    • R.W. Schoenlein, L.A. Peteanu, R.A. Mathies and C.V. Shank, The first step in vision: femtosecond isomerization of rhodopsin. Science 254 412 (1991).
    • (1991) Science , vol.254 , pp. 412
    • Schoenlein, R.W.1    Peteanu, L.A.2    Mathies, R.A.3    Shank, C.V.4
  • 11
    • 0032987196 scopus 로고    scopus 로고
    • Closing in on bacteriorhodopsin: Progress in understanding the molecule
    • U. Haupts and J.O.D. Tittor, Closing in on bacteriorhodopsin: progress in understanding the molecule. Annu. Rev. Biophys. Biomed. 28 367 (1999).
    • (1999) Annu. Rev. Biophys. Biomed. , vol.28 , pp. 367
    • Haupts, U.1    Tittor, J.O.D.2
  • 12
    • 85005697420 scopus 로고
    • Ultrafast spectroscopy of rhodopsins-photochemistry at its best!
    • G.G. Kochendoerfer and R.A. Mathies, Ultrafast spectroscopy of rhodopsins-photochemistry at its best! Israel. J. Chem. 35 211 (1995).
    • (1995) Israel. J. Chem. , vol.35 , pp. 211
    • Kochendoerfer, G.G.1    Mathies, R.A.2
  • 13
    • 0034662988 scopus 로고    scopus 로고
    • Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization
    • R. González-Luque, M. Garavelli, F. Bernardi, M. Merchan, et al. Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization. Proc. Natl. Acad. Sci. 97 9379 (2000).
    • (2000) Proc. Natl. Acad. Sci. , vol.97 , pp. 9379
    • González-Luque, R.1    Garavelli, M.2    Bernardi, F.3    Merchan, M.4
  • 14
    • 0001680760 scopus 로고
    • Ah initia photoisomerization dynamics of a simple retinal chromophore model
    • T. Vreven, F. Bernardi, M. Garavelli, M. Olivucci, et al. Ah initia photoisomerization dynamics of a simple retinal chromophore model. J. Am. Chem. Soc. 119 12687 (1937).
    • (1937) J. Am. Chem. Soc. , vol.119 , pp. 12687
    • Vreven, T.1    Bernardi, F.2    Garavelli, M.3    Olivucci, M.4
  • 15
    • 0039000044 scopus 로고    scopus 로고
    • Fast photoisomerization of a rhodopsin model-an ab initia molecular dynamics study
    • V. Buß, O. Weingart and M. Sugihara, Fast photoisomerization of a rhodopsin model-an ab initia molecular dynamics study. Angew. Chem. Int. Ed. Engl. 39 2784 (2000).
    • (2000) Angew. Chem. Int. Ed. Engl. , vol.39 , pp. 2784
    • Buß, V.1    Weingart, O.2    Sugihara, M.3
  • 16
    • 3343018729 scopus 로고    scopus 로고
    • Excited state isomerization of small polyeneimnium ions-the influence of initial torsion on MD-calculated reaction dynamics
    • O. Weingart and V. Buß, Excited state isomerization of small polyeneimnium ions-the influence of initial torsion on MD-calculated reaction dynamics. Phase Transitions 75 19(2002).
    • (2002) Phase Transitions , vol.75 , pp. 19
    • Weingart, O.1    Buß, V.2
  • 17
    • 2942528975 scopus 로고    scopus 로고
    • Probing the photochemical funnel of a retinal chromophore model via zero point energy sampling semiclassical dynamics
    • O. Weingart, A. Migani, M. Olivucci, M.A. Robb, et al. Probing the photochemical funnel of a retinal chromophore model via zero point energy sampling semiclassical dynamics. J. Phys. Chem. A 108 4685 (2004).
    • (2004) J. Phys. Chem. A , vol.108 , pp. 4685
    • Weingart, O.1    Migani, A.2    Olivucci, M.3    Robb, M.A.4
  • 20
    • 36749114336 scopus 로고
    • On the dynamics of state selected unimolecular reactions: Chloroacetylene dissociation and predissociation
    • C.S. Sloane and W.L. Hase, On the dynamics of state selected unimolecular reactions: chloroacetylene dissociation and predissociation. J. Chem. Phys. 66 1523 (1977).
    • (1977) J. Chem. Phys. , vol.66 , pp. 1523
    • Sloane, C.S.1    Hase, W.L.2
  • 22
    • 0037136755 scopus 로고    scopus 로고
    • Anti-Stokes Raman study of vibrational cooling dynamics in the primary photochemistry of rhodopsin
    • J.E. Kim and R.A. Mathies, Anti-Stokes Raman study of vibrational cooling dynamics in the primary photochemistry of rhodopsin. J. Chem. Phys. A 106 8508 (2002).
    • (2002) J. Chem. Phys. A , vol.106 , pp. 8508
    • Kim, J.E.1    Mathies, R.A.2
  • 23
    • 0242417585 scopus 로고    scopus 로고
    • Relationship between photoisomerization path and intersection space in a retinal chromophore model
    • A. Migani, M.A. Robb and M. Olivucci, Relationship between photoisomerization path and intersection space in a retinal chromophore model. J. Am.Chem. Soc. 125 2804 (2003).
    • (2003) J. Am.Chem. Soc. , vol.125 , pp. 2804
    • Migani, A.1    Robb, M.A.2    Olivucci, M.3
  • 24
    • 0030352943 scopus 로고    scopus 로고
    • Potential energy surface crossings in organic photochemistry
    • F. Bernardi and M. Olivucci, Potential energy surface crossings in organic photochemistry. Chem. Soc. Rev. 25 321 (1996).
    • (1996) Chem. Soc. Rev. , vol.25 , pp. 321
    • Bernardi, F.1    Olivucci, M.2
  • 25
    • 0000708809 scopus 로고    scopus 로고
    • Mixed state 'on the fly' nonadiabatic dynamics: The role of the conical intersection topology
    • S. Klein, M.J. Bearpark, B.R. Smith, M.A. Robb, et al. Mixed state 'on the fly' nonadiabatic dynamics: the role of the conical intersection topology. Chem. Phys. Lett. 292 259 (1998).
    • (1998) Chem. Phys. Lett. , vol.292 , pp. 259
    • Klein, S.1    Bearpark, M.J.2    Smith, B.R.3    Robb, M.A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.