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Journal Abstract Search

2045 related items for PubMed ID: 19814553

  • 1. Photochemistry of the water dimer: time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection.
    Chmura B, Lan Z, Rode MF, Sobolewski AL.
    J Chem Phys; 2009 Oct 07; 131(13):134307. PubMed ID: 19814553
    [Abstract] [Full Text] [Related]

  • 2. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol.
    Lan Z, Domcke W, Vallet V, Sobolewski AL, Mahapatra S.
    J Chem Phys; 2005 Jun 08; 122(22):224315. PubMed ID: 15974676
    [Abstract] [Full Text] [Related]

  • 3. Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections.
    Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W.
    J Chem Phys; 2005 Oct 08; 123(14):144307. PubMed ID: 16238391
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  • 4. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
    García-Fernández P, García-Canales L, García-Lastra JM, Junquera J, Moreno M, Aramburu JA.
    J Chem Phys; 2008 Sep 28; 129(12):124313. PubMed ID: 19045029
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  • 5. Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations.
    Faraji S, Meyer HD, Köppel H.
    J Chem Phys; 2008 Aug 21; 129(7):074311. PubMed ID: 19044771
    [Abstract] [Full Text] [Related]

  • 6. Time-dependent quantum wave-packet description of H and D atom tunneling in N-H and N-D photodissociation of methylamine and methylamine-d2.
    Levi C, Kosloff R, Zeiri Y, Bar I.
    J Chem Phys; 2009 Aug 14; 131(6):064302. PubMed ID: 19691383
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  • 8. Theoretical analysis of photoinduced H-atom elimination in thiophenol.
    Venkatesan TS, Ramesh SG, Lan Z, Domcke W.
    J Chem Phys; 2012 May 07; 136(17):174312. PubMed ID: 22583235
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  • 11. Excited-state proton transfer through water bridges and structure of hydrogen-bonded complexes in 1H-pyrrolo[3,2-h]quinoline: adiabatic time-dependent density functional theory study.
    Kyrychenko A, Waluk J.
    J Phys Chem A; 2006 Nov 02; 110(43):11958-67. PubMed ID: 17064184
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  • 13. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM, Peslherbe GH.
    J Phys Chem B; 2008 Jan 17; 112(2):636-49. PubMed ID: 18183959
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  • 14. Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization.
    Tamura H, Nanbu S, Ishida T, Nakamura H.
    J Chem Phys; 2006 Feb 28; 124(8):084313. PubMed ID: 16512722
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  • 16. Insights into the ultraviolet spectrum of liquid water from model calculations.
    Cabral do Couto P, Chipman DM.
    J Chem Phys; 2010 Jun 28; 132(24):244307. PubMed ID: 20590193
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  • 17. Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions.
    Mannfors B, Palmo K, Krimm S.
    J Phys Chem A; 2008 Dec 11; 112(49):12667-78. PubMed ID: 19012387
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  • 18. Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systems.
    Iyengar SS, Jakowski J.
    J Chem Phys; 2005 Mar 15; 122(11):114105. PubMed ID: 15836199
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  • 20. Wave packet simulation of nonadiabatic dynamics in highly excited 1,3-dibromopropane.
    Brogaard RY, Møller KB, Sølling TI.
    J Phys Chem A; 2008 Oct 23; 112(42):10481-6. PubMed ID: 18821744
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