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

301 related items for PubMed ID: 16854034

  • 1. Ab initio study of the ionization of the DNA bases: ionization potentials and excited states of the cations.
    Cauët E, Dehareng D, Liévin J.
    J Phys Chem A; 2006 Jul 27; 110(29):9200-11. PubMed ID: 16854034
    [Abstract] [Full Text] [Related]

  • 2. Ab initio study of the electron transfer in an ionized stacked complex of guanines.
    Cauët E, Liévin J.
    J Phys Chem A; 2009 Sep 10; 113(36):9881-90. PubMed ID: 19681582
    [Abstract] [Full Text] [Related]

  • 3. Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals.
    Lau KC, Zheng W, Wong NB, Li WK.
    J Chem Phys; 2007 Oct 21; 127(15):154302. PubMed ID: 17949144
    [Abstract] [Full Text] [Related]

  • 4. Conical intersections in thymine.
    Perun S, Sobolewski AL, Domcke W.
    J Phys Chem A; 2006 Dec 14; 110(49):13238-44. PubMed ID: 17149840
    [Abstract] [Full Text] [Related]

  • 5. Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study.
    Shukla MK, Leszczynski J.
    J Phys Chem A; 2005 Sep 01; 109(34):7775-80. PubMed ID: 16834154
    [Abstract] [Full Text] [Related]

  • 6. Multistate vibronic interactions in difluorobenzene radical cations. I. Electronic structure calculations.
    Faraji S, Köppel H.
    J Chem Phys; 2008 Aug 21; 129(7):074310. PubMed ID: 19044770
    [Abstract] [Full Text] [Related]

  • 7. Excited states of thiophene: ring opening as deactivation mechanism.
    Salzmann S, Kleinschmidt M, Tatchen J, Weinkauf R, Marian CM.
    Phys Chem Chem Phys; 2008 Jan 21; 10(3):380-92. PubMed ID: 18174980
    [Abstract] [Full Text] [Related]

  • 8. Electronically excited and ionized states of the CH2CH2OH radical: a theoretical study.
    Karpichev B, Koziol L, Diri K, Reisler H, Krylov AI.
    J Chem Phys; 2010 Mar 21; 132(11):114308. PubMed ID: 20331298
    [Abstract] [Full Text] [Related]

  • 9. Ab initio study on the decomposition of first excited state HOOO radicals.
    Yang J, Li QS, Zhang S.
    Phys Chem Chem Phys; 2007 Jan 28; 9(4):466-9. PubMed ID: 17216062
    [Abstract] [Full Text] [Related]

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

  • 11. Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials.
    Preuss M, Schmidt WG, Seino K, Furthmüller J, Bechstedt F.
    J Comput Chem; 2004 Jan 15; 25(1):112-22. PubMed ID: 14634999
    [Abstract] [Full Text] [Related]

  • 12. Nature of the lowest excited states of neutral polyenyl radicals and polyene radical cations.
    Starcke JH, Wormit M, Dreuw A.
    J Chem Phys; 2009 Oct 14; 131(14):144311. PubMed ID: 19831445
    [Abstract] [Full Text] [Related]

  • 13.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 14. Vinylidene-acetylene cation isomerization investigated by large scale ab initio calculations.
    Boyé-Péronne S, Gauyacq D, Liévin J.
    J Chem Phys; 2006 Jun 07; 124(21):214305. PubMed ID: 16774405
    [Abstract] [Full Text] [Related]

  • 15.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 16. Ab initio calculations on SCl2 and low-lying cationic states of SCl2+: Franck-Condon simulation of the UV photoelectron spectrum of SCl2.
    Mok DK, Chau FT, Lee EP, Dyke JM.
    J Chem Phys; 2006 Sep 14; 125(10):104303. PubMed ID: 16999522
    [Abstract] [Full Text] [Related]

  • 17. 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
    [Abstract] [Full Text] [Related]

  • 18. 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
    [Abstract] [Full Text] [Related]

  • 19. A unified perspective on the hydrogen atom transfer and proton-coupled electron transfer mechanisms in terms of topographic features of the ground and excited potential energy surfaces as exemplified by the reaction between phenol and radicals.
    Tishchenko O, Truhlar DG, Ceulemans A, Nguyen MT.
    J Am Chem Soc; 2008 Jun 04; 130(22):7000-10. PubMed ID: 18465862
    [Abstract] [Full Text] [Related]

  • 20. 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]

    Page: [Next] [New Search]
    of 16.