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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

185 related articles for article (PubMed ID: 22918485)

  • 1. QM/MM non-adiabatic decay dynamics of formamide in polar and non-polar solvents.
    Antol I; Eckert-Maksić M; Vazdar M; Ruckenbauer M; Lischka H
    Phys Chem Chem Phys; 2012 Oct; 14(38):13262-72. PubMed ID: 22918485
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Simulation of the photodeactivation of formamide in the nO-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study.
    Antol I; Eckert-Maksić M; Barbatti M; Lischka H
    J Chem Phys; 2007 Dec; 127(23):234303. PubMed ID: 18154378
    [TBL] [Abstract][Full Text] [Related]  

  • 3. QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution.
    Lan Z; Lu Y; Fabiano E; Thiel W
    Chemphyschem; 2011 Jul; 12(10):1989-98. PubMed ID: 21674744
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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; 112(2):636-49. PubMed ID: 18183959
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Study of the mechanism of the N-CO photodissociation in N,N-dimethylformamide by direct trajectory surface hopping simulations.
    Eckert-Maksić M; Antol I
    J Phys Chem A; 2009 Nov; 113(45):12582-90. PubMed ID: 19603774
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Azomethane: nonadiabatic photodynamical simulations in solution.
    Ruckenbauer M; Barbatti M; Sellner B; Muller T; Lischka H
    J Phys Chem A; 2010 Dec; 114(48):12585-90. PubMed ID: 21070061
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: excited-state QM/MM molecular dynamics simulations.
    Nakayama A; Arai G; Yamazaki S; Taketsugu T
    J Chem Phys; 2013 Dec; 139(21):214304. PubMed ID: 24320377
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A QM/MM MD insight into photodynamics of hypoxanthine: distinct nonadiabatic decay behaviors between keto-N7H and keto-N9H tautomers in aqueous solution.
    Guo X; Zhao Y; Cao Z
    Phys Chem Chem Phys; 2014 Aug; 16(29):15381-8. PubMed ID: 24945346
    [TBL] [Abstract][Full Text] [Related]  

  • 9. State-to-state photodissociation dynamics of triatomic molecules: H2O in the B band.
    Jiang B; Xie D; Guo H
    J Chem Phys; 2012 Jan; 136(3):034302. PubMed ID: 22280755
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Excited state properties of formamide in water solution: an ab initio study.
    Garbuio V; Cascella M; Del Sole R; Marsili M; Pulci O
    J Chem Phys; 2012 Oct; 137(16):164317. PubMed ID: 23126720
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio study on ultrafast excited-state decay of allopurinol keto-N9H tautomer from gas phase to aqueous solution.
    Guo X; Zhao Y; Cao Z
    J Phys Chem A; 2014 Oct; 118(39):9013-20. PubMed ID: 24649813
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Hydrogen bonding and reactivity of water to azines in their S1 (n,π*) electronic excited states in the gas phase and in solution.
    Reimers JR; Cai ZL
    Phys Chem Chem Phys; 2012 Jul; 14(25):8791-802. PubMed ID: 22532059
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution.
    Kina D; Nakayama A; Noro T; Taketsugu T; Gordon MS
    J Phys Chem A; 2008 Oct; 112(40):9675-83. PubMed ID: 18785694
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Nonadiabatic trajectory studies of NaI(H2O)n photodissociation dynamics.
    Koch DM; Timerghazin QK; Peslherbe GH; Ladanyi BM; Hynes JT
    J Phys Chem A; 2006 Feb; 110(4):1438-54. PubMed ID: 16435804
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study.
    Kungwan N; Plasser F; Aquino AJ; Barbatti M; Wolschann P; Lischka H
    Phys Chem Chem Phys; 2012 Jul; 14(25):9016-25. PubMed ID: 22495201
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Modelling peptide-metal dication interactions: formamide-Ca2+ reactions in the gas phase.
    Eizaguirre A; Mó O; Yáñez M; Salpin JY; Tortajada J
    Org Biomol Chem; 2012 Oct; 10(37):7552-61. PubMed ID: 22892540
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Matrix-controlled photofragmentation of formamide: dynamics simulation in argon by nonadiabatic QM/MM method.
    Eckert-Maksić M; Vazdar M; Ruckenbauer M; Barbatti M; Müller T; Lischka H
    Phys Chem Chem Phys; 2010 Oct; 12(39):12719-26. PubMed ID: 20737086
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The decay from the dark npi* excited state in uracil: an integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water.
    Mercier Y; Santoro F; Reguero M; Improta R
    J Phys Chem B; 2008 Sep; 112(35):10769-72. PubMed ID: 18700794
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Photochemistry of the water molecule: adiabatic versus nonadiabatic dynamics.
    Yuan K; Dixon RN; Yang X
    Acc Chem Res; 2011 May; 44(5):369-78. PubMed ID: 21428277
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The dynamical role of solvent on the ICN photodissociation reaction: connecting experimental observables directly with molecular dynamics simulations.
    Rivera CA; Winter N; Harper RV; Benjamin I; Bradforth SE
    Phys Chem Chem Phys; 2011 May; 13(18):8269-83. PubMed ID: 21479299
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.