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

158 related items for PubMed ID: 25791682

  • 1. Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism.
    Zobač V, Lewis JP, Abad E, Mendieta-Moreno JI, Hapala P, Jelínek P, Ortega J.
    J Phys Condens Matter; 2015 May 08; 27(17):175002. PubMed ID: 25791682
    [Abstract] [Full Text] [Related]

  • 2.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 3. Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.
    Singh RK, Tsuneda T.
    J Comput Chem; 2013 Feb 15; 34(5):379-86. PubMed ID: 23037888
    [Abstract] [Full Text] [Related]

  • 4. [Computational study on the electronic absorption transitions for 2,3-diaryl maleic anhydrides].
    Wang Q, Liu Y, Zhang ML, Liu Y.
    Guang Pu Xue Yu Guang Pu Fen Xi; 2005 May 15; 25(5):685-7. PubMed ID: 16128063
    [Abstract] [Full Text] [Related]

  • 5.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 6.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 7.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 8.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

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

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

  • 11. The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfaces.
    Subotnik JE, Sodt A, Head-Gordon M.
    J Chem Phys; 2008 Jan 21; 128(3):034103. PubMed ID: 18205484
    [Abstract] [Full Text] [Related]

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

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

  • 14. Electronic excitations of C60 fullerene calculated using the ab initio cluster expansion method.
    Fukuda R, Ehara M.
    J Chem Phys; 2012 Oct 07; 137(13):134304. PubMed ID: 23039596
    [Abstract] [Full Text] [Related]

  • 15. Detailed dynamics of the photodissociation of cyclobutane.
    Dou Y, Lei Y, Li A, Wen Z, Torralva BR, Lo GV, Allen RE.
    J Phys Chem A; 2007 Feb 15; 111(6):1133-7. PubMed ID: 17253665
    [Abstract] [Full Text] [Related]

  • 16. Nonequilibrium Fermi golden rule for electronic transitions through conical intersections.
    Izmaylov AF, Mendive-Tapia D, Bearpark MJ, Robb MA, Tully JC, Frisch MJ.
    J Chem Phys; 2011 Dec 21; 135(23):234106. PubMed ID: 22191863
    [Abstract] [Full Text] [Related]

  • 17. Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations.
    Nenov A, Segarra-Martí J, Giussani A, Conti I, Rivalta I, Dumont E, Jaiswal VK, Altavilla SF, Mukamel S, Garavelli M.
    Faraday Discuss; 2015 Dec 21; 177():345-62. PubMed ID: 25607949
    [Abstract] [Full Text] [Related]

  • 18. Applications of the ETS-NOCV method in descriptions of chemical reactions.
    Mitoraj MP, Parafiniuk M, Srebro M, Handzlik M, Buczek A, Michalak A.
    J Mol Model; 2011 Sep 21; 17(9):2337-52. PubMed ID: 21445707
    [Abstract] [Full Text] [Related]

  • 19. A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.
    Mendieta-Moreno JI, Marcos-Alcalde I, Trabada DG, Gómez-Puertas P, Ortega J, Mendieta J.
    Adv Protein Chem Struct Biol; 2015 Sep 21; 100():67-88. PubMed ID: 26415841
    [Abstract] [Full Text] [Related]

  • 20. Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA.
    Kubař T, Elstner M.
    Phys Chem Chem Phys; 2013 Apr 28; 15(16):5794-813. PubMed ID: 23493847
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 8.