These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

226 related items for PubMed ID: 22047237

  • 1. Ab initio quantum dynamical study of photoinduced ring opening in furan.
    Gromov EV, Lévêque C, Gatti F, Burghardt I, Köppel H.
    J Chem Phys; 2011 Oct 28; 135(16):164305. PubMed ID: 22047237
    [Abstract] [Full Text] [Related]

  • 2. Theoretical study of photoinduced ring-opening in furan.
    Gromov EV, Trofimov AB, Gatti F, Köppel H.
    J Chem Phys; 2010 Oct 28; 133(16):164309. PubMed ID: 21033790
    [Abstract] [Full Text] [Related]

  • 3. Theoretical study of excitations in furan: spectra and molecular dynamics.
    Gromov EV, Trofimov AB, Vitkovskaya NM, Köppel H, Schirmer J, Meyer HD, Cederbaum LS.
    J Chem Phys; 2004 Sep 08; 121(10):4585-98. PubMed ID: 15332889
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 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. 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
    [Abstract] [Full Text] [Related]

  • 7. Ab initio quantum study of the photodynamics and absorption spectrum for the coupled 1(1)A2 and 1(1)B1 states of SO2.
    Lévêque C, Komainda A, Taïeb R, Köppel H.
    J Chem Phys; 2013 Jan 28; 138(4):044320. PubMed ID: 23387597
    [Abstract] [Full Text] [Related]

  • 8. A multireference coupled-cluster study of electronic excitations in furan and pyrrole.
    Li X, Paldus J.
    J Phys Chem A; 2010 Aug 26; 114(33):8591-600. PubMed ID: 20155956
    [Abstract] [Full Text] [Related]

  • 9.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 10.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 11. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
    Lo PK, Lau KC.
    J Phys Chem A; 2011 Feb 10; 115(5):932-9. PubMed ID: 21210670
    [Abstract] [Full Text] [Related]

  • 12.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 15. Nonadiabatic quantum reactive scattering of the OH(A  2Σ+) + D2.
    Zhang PY, Lu RF, Chu TS, Han KL.
    J Chem Phys; 2010 Nov 07; 133(17):174316. PubMed ID: 21054041
    [Abstract] [Full Text] [Related]

  • 16. Photoinduced dynamics of ethene in the N, V, and Z valence states: a six-dimensional nonadiabatic quantum dynamics investigation.
    Viel A, Krawczyk RP, Manthe U, Domcke W.
    J Chem Phys; 2004 Jun 15; 120(23):11000-10. PubMed ID: 15268130
    [Abstract] [Full Text] [Related]

  • 17. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Sep 14; 125(10):104306. PubMed ID: 16999525
    [Abstract] [Full Text] [Related]

  • 18. Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole.
    Faraji S, Vazdar M, Reddy VS, Eckert-Maksic M, Lischka H, Köppel H.
    J Chem Phys; 2011 Oct 21; 135(15):154310. PubMed ID: 22029316
    [Abstract] [Full Text] [Related]

  • 19. Photoinduced quantum dynamics of ortho- and para-fulvene: hindered photoisomerization due to mode selective fast radiationless decay via a conical intersection.
    Alfalah S, Belz S, Deeb O, Leibscher M, Manz J, Zilberg S.
    J Chem Phys; 2009 Mar 28; 130(12):124318. PubMed ID: 19334841
    [Abstract] [Full Text] [Related]

  • 20.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 12.