BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

296 related articles for article (PubMed ID: 23249051)

  • 1. Surface hopping dynamics using a locally diabatic formalism: charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer.
    Plasser F; Granucci G; Pittner J; Barbatti M; Persico M; Lischka H
    J Chem Phys; 2012 Dec; 137(22):22A514. PubMed ID: 23249051
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Semiclassical dynamics simulations of charge transport in stacked π-systems.
    Plasser F; Lischka H
    J Chem Phys; 2011 Jan; 134(3):034309. PubMed ID: 21261355
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Is there symmetry breaking in the first excited singlet state of 2-pyridone dimer?
    Sagvolden E; Furche F
    J Phys Chem A; 2010 Jul; 114(25):6897-903. PubMed ID: 20527863
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states.
    Sirjoosingh A; Hammes-Schiffer S
    J Phys Chem A; 2011 Mar; 115(11):2367-77. PubMed ID: 21351757
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: comparison of explicit and implicit solvent simulations.
    Auer B; Soudackov AV; Hammes-Schiffer S
    J Phys Chem B; 2012 Jul; 116(26):7695-708. PubMed ID: 22651684
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations.
    Svoboda O; Hollas D; Ončák M; Slavíček P
    Phys Chem Chem Phys; 2013 Jul; 15(27):11531-42. PubMed ID: 23748912
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: sequential, concerted, and complex branching mechanisms.
    Soudackov AV; Hazra A; Hammes-Schiffer S
    J Chem Phys; 2011 Oct; 135(14):144115. PubMed ID: 22010706
    [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. Excited electronic states and nonadiabatic effects in contemporary chemical dynamics.
    Mahapatra S
    Acc Chem Res; 2009 Aug; 42(8):1004-15. PubMed ID: 19456094
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials.
    Nelson T; Fernandez-Alberti S; Roitberg AE; Tretiak S
    Acc Chem Res; 2014 Apr; 47(4):1155-64. PubMed ID: 24673100
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Detailed mechanism for photoinduced cytosine dimerization: a semiclassical dynamics simulation.
    Yuan S; Zhang W; Liu L; Dou Y; Fang W; Lo GV
    J Phys Chem A; 2011 Nov; 115(46):13291-7. PubMed ID: 21988470
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Exciton coherence and energy transport in the light-harvesting dimers of allophycocyanin.
    Womick JM; Moran AM
    J Phys Chem B; 2009 Dec; 113(48):15747-59. PubMed ID: 19894754
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex.
    Goyal P; Schwerdtfeger CA; Soudackov AV; Hammes-Schiffer S
    J Phys Chem B; 2015 Feb; 119(6):2758-68. PubMed ID: 25545667
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Vibrational quenching of excitonic splittings in H-bonded molecular dimers: the electronic Davydov splittings cannot match experiment.
    Ottiger P; Leutwyler S; Köppel H
    J Chem Phys; 2012 May; 136(17):174308. PubMed ID: 22583231
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Photochemistry of DNA fragments via semiclassical nonadiabatic dynamics.
    Alexandrova AN; Tully JC; Granucci G
    J Phys Chem B; 2010 Sep; 114(37):12116-28. PubMed ID: 20795696
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex.
    Goyal P; Schwerdtfeger CA; Soudackov AV; Hammes-Schiffer S
    J Phys Chem B; 2016 Mar; 120(9):2407-17. PubMed ID: 26812149
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations.
    Belyaev AK; Domcke W; Lasser C; Trigila G
    J Chem Phys; 2015 Mar; 142(10):104307. PubMed ID: 25770540
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules.
    Nelson T; Fernandez-Alberti S; Chernyak V; Roitberg AE; Tretiak S
    J Phys Chem B; 2011 May; 115(18):5402-14. PubMed ID: 21218841
    [TBL] [Abstract][Full Text] [Related]  

  • 19. New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach.
    Shakib FA; Hanna G
    J Chem Phys; 2016 Jan; 144(2):024110. PubMed ID: 26772557
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantum dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction.
    Tamura H; Martinazzo R; Ruckenbauer M; Burghardt I
    J Chem Phys; 2012 Dec; 137(22):22A540. PubMed ID: 23249077
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.