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 *

122 related articles for article (PubMed ID: 37071389)

  • 21. Photophysics of a copper phenanthroline elucidated by trajectory and wavepacket-based quantum dynamics: a synergetic approach.
    Capano G; Penfold TJ; Chergui M; Tavernelli I
    Phys Chem Chem Phys; 2017 Aug; 19(30):19590-19600. PubMed ID: 28368433
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Mode-specific vibrational relaxation of photoexcited guanosine 5'-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical study.
    Zhang Y; Improta R; Kohler B
    Phys Chem Chem Phys; 2014 Jan; 16(4):1487-99. PubMed ID: 24302276
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Dynamics of acetone photodissociation: a surface hopping study.
    Favero L; Granucci G; Persico M
    Phys Chem Chem Phys; 2013 Dec; 15(47):20651-61. PubMed ID: 24189815
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Vibrational Energy Relaxation of Deuterium Fluoride in
    Zhang X; Vázquez SA; Harvey JN
    J Chem Theory Comput; 2021 Mar; 17(3):1277-1289. PubMed ID: 33550803
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.
    Marques JM; Martínez-Núñez E; Fernandez-Ramos A; Vazquez SA
    J Phys Chem A; 2005 Jun; 109(24):5415-23. PubMed ID: 16839068
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Dynamics of vibrational overtone excitations of H2SO4, H2SO4-H2O: hydrogen-hopping and photodissociation processes.
    Miller Y; Gerber RB
    J Am Chem Soc; 2006 Aug; 128(30):9594-5. PubMed ID: 16866489
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Photodissociation dynamics of N
    Patra S; San Vicente Veliz JC; Koner D; Bieske EJ; Meuwly M
    J Chem Phys; 2022 Mar; 156(12):124307. PubMed ID: 35364866
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy.
    Shu Y; Dong SS; Parker KA; Bao JL; Zhang L; Truhlar DG
    Phys Chem Chem Phys; 2018 Dec; 20(48):30209-30218. PubMed ID: 30489584
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Photochemical processes induced by vibrational overtone excitations: dynamics simulations for cis-HONO, trans-HONO, HNO3, and HNO3-H2O.
    Miller Y; Chaban GM; Finlayson-Pitts BJ; Gerber RB
    J Phys Chem A; 2006 Apr; 110(16):5342-54. PubMed ID: 16623461
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Sampling initial positions and momenta for nuclear trajectories from quantum mechanical distributions.
    Yao Y; Hase WL; Granucci G; Persico M
    J Chem Phys; 2021 Feb; 154(7):074115. PubMed ID: 33607905
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Photodissociation of FONO: an excited state nonadiabatic dynamics study.
    Hilal AR; Hilal R
    J Mol Model; 2017 Mar; 23(3):77. PubMed ID: 28204944
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Role of the C-H stretch mode excitation in the dynamics of the Cl + CHD3 reaction: a quasi-classical trajectory calculation.
    Espinosa-García J
    J Phys Chem A; 2007 Oct; 111(39):9654-61. PubMed ID: 17824676
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Which Electronic Structure Method to Choose in Trajectory Surface Hopping Dynamics Simulations? Azomethane as a Case Study.
    Papineau TV; Jacquemin D; Vacher M
    J Phys Chem Lett; 2024 Jan; 15(2):636-643. PubMed ID: 38205955
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations.
    Steinmann C; Olsson MA; Ryde U
    J Chem Theory Comput; 2018 Jun; 14(6):3228-3237. PubMed ID: 29768915
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Simulation of the photodynamics of azobenzene on its first excited state: comparison of full multiple spawning and surface hopping treatments.
    Toniolo A; Ciminelli C; Persico M; Martínez TJ
    J Chem Phys; 2005 Dec; 123(23):234308. PubMed ID: 16392921
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Accurate calculation of zero point energy from molecular dynamics simulations of liquids and their mixtures.
    Tiwari A; Honingh C; Ensing B
    J Chem Phys; 2019 Dec; 151(24):244124. PubMed ID: 31893925
    [TBL] [Abstract][Full Text] [Related]  

  • 38. State-specific tunneling lifetimes from classical trajectories: H-atom dissociation in electronically excited pyrrole.
    Xie W; Domcke W; Farantos SC; Grebenshchikov SY
    J Chem Phys; 2016 Mar; 144(10):104105. PubMed ID: 26979679
    [TBL] [Abstract][Full Text] [Related]  

  • 39. INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations.
    Cofer-Shabica DV; Menger MFSJ; Ou Q; Shao Y; Subotnik JE; Faraji S
    J Chem Theory Comput; 2022 Aug; 18(8):4601-4614. PubMed ID: 35901266
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Trajectory surface-hopping study of methane photodissociation dynamics.
    Lodriguito MD; Lendvay G; Schatz GC
    J Chem Phys; 2009 Dec; 131(22):224320. PubMed ID: 20001049
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.