BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

344 related articles for article (PubMed ID: 18376919)

  • 1. Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry.
    Lasorne B; Sicilia F; Bearpark MJ; Robb MA; Worth GA; Blancafort L
    J Chem Phys; 2008 Mar; 128(12):124307. PubMed ID: 18376919
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics.
    Asturiol D; Lasorne B; Robb MA; Blancafort L
    J Phys Chem A; 2009 Sep; 113(38):10211-8. PubMed ID: 19722485
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio characterization of the conical intersections involved in the photochemistry of phenol.
    Vieuxmaire OP; Lan Z; Sobolewski AL; Domcke W
    J Chem Phys; 2008 Dec; 129(22):224307. PubMed ID: 19071916
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy.
    Kwac K; Lee C; Jung Y; Han J; Kwak K; Zheng J; Fayer MD; Cho M
    J Chem Phys; 2006 Dec; 125(24):244508. PubMed ID: 17199356
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A straightforward method of analysis for direct quantum dynamics: application to the photochemistry of a model cyanine.
    Allan CS; Lasorne B; Worth GA; Robb MA
    J Phys Chem A; 2010 Aug; 114(33):8713-29. PubMed ID: 20499843
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Dynamics starting at a conical intersection: application to the photochemistry of pyrrole.
    Sellner B; Barbatti M; Lischka H
    J Chem Phys; 2009 Jul; 131(2):024312. PubMed ID: 19603996
    [TBL] [Abstract][Full Text] [Related]  

  • 7. An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: application to the hydrogen abstraction reactions mu + CH4, H + CH4, D + CH4, and CH3 + CH4.
    Banks ST; Tautermann CS; Remmert SM; Clary DC
    J Chem Phys; 2009 Jul; 131(4):044111. PubMed ID: 19655841
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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; 131(13):134307. PubMed ID: 19814553
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study of the chemiluminescent decomposition of dioxetanone.
    Liu F; Liu Y; De Vico L; Lindh R
    J Am Chem Soc; 2009 May; 131(17):6181-8. PubMed ID: 19358608
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Photochemistry of visual pigment chromophore models by ab initio molecular dynamics.
    Weingart O; Schapiro I; Buss V
    J Phys Chem B; 2007 Apr; 111(14):3782-8. PubMed ID: 17388554
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantum dynamics of light-driven chiral molecular motors.
    Yamaki M; Nakayama S; Hoki K; Kono H; Fujimura Y
    Phys Chem Chem Phys; 2009 Mar; 11(11):1662-78. PubMed ID: 19290336
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Are conical intersections responsible for the ultrafast processes of adenine, protonated adenine, and the corresponding nucleosides?
    Brøndsted Nielsen S; Sølling TI
    Chemphyschem; 2005 Jul; 6(7):1276-81. PubMed ID: 15929162
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer.
    Levine BG; Martínez TJ
    J Phys Chem A; 2009 Nov; 113(46):12815-24. PubMed ID: 19813720
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A theoretical insight into the reaction mechanism of photochemical transposition from pyrazole to imidazole.
    Su MD
    J Phys Chem A; 2008 Oct; 112(41):10420-8. PubMed ID: 18800775
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A comparative study on the photochemistry of two bipyridyl derivatives: [2,2'-bipyridyl]-3,3'-diamine and [2,2'-bipyridyl]-3,3'-diol.
    Ortiz-Sánchez JM; Gelabert R; Moreno M; Lluch JM
    Chemphyschem; 2007 Jun; 8(8):1199-206. PubMed ID: 17471481
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Atomistic simulation of solid-liquid coexistence for molecular systems: application to triazole and benzene.
    Eike DM; Maginn EJ
    J Chem Phys; 2006 Apr; 124(16):164503. PubMed ID: 16674142
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum simulation of solution phase intramolecular electron transfer rates in betaine-30.
    Kim H; Hwang H; Rossky PJ
    J Phys Chem A; 2006 Oct; 110(39):11223-9. PubMed ID: 17004730
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case.
    Lasorne B; Robb MA; Worth GA
    Phys Chem Chem Phys; 2007 Jul; 9(25):3210-27. PubMed ID: 17579730
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid.
    Sobolewski AL; Domcke W
    Phys Chem Chem Phys; 2006 Aug; 8(29):3410-7. PubMed ID: 16855719
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications.
    Dreuw A
    Chemphyschem; 2006 Nov; 7(11):2259-74. PubMed ID: 17009357
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 18.