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 *

124 related articles for article (PubMed ID: 28009515)

  • 41. Insights into the ultraviolet spectrum of liquid water from model calculations.
    Cabral do Couto P; Chipman DM
    J Chem Phys; 2010 Jun; 132(24):244307. PubMed ID: 20590193
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Using the constrained DFT approach in generating diabatic surfaces and off diagonal empirical valence bond terms for modeling reactions in condensed phases.
    Hong G; Rosta E; Warshel A
    J Phys Chem B; 2006 Oct; 110(39):19570-4. PubMed ID: 17004821
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Ferrocene Molecular Architectures Grafted on Si(111): A Theoretical Calculation of the Standard Oxidation Potentials and Electron Transfer Rate Constant.
    Fontanesi C; Innocenti M; Vanossi D; Da Como E
    Materials (Basel); 2017 Sep; 10(10):. PubMed ID: 28934134
    [TBL] [Abstract][Full Text] [Related]  

  • 44. A molecular density functional theory approach to electron transfer reactions.
    Jeanmairet G; Rotenberg B; Levesque M; Borgis D; Salanne M
    Chem Sci; 2019 Feb; 10(7):2130-2143. PubMed ID: 30881637
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases.
    VandeVondele J; Hutter J
    J Chem Phys; 2007 Sep; 127(11):114105. PubMed ID: 17887826
    [TBL] [Abstract][Full Text] [Related]  

  • 46. 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]  

  • 47. Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods.
    Menzeleev AR; Ananth N; Miller TF
    J Chem Phys; 2011 Aug; 135(7):074106. PubMed ID: 21861555
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Direct calculation of electron transfer parameters through constrained density functional theory.
    Wu Q; Van Voorhis T
    J Phys Chem A; 2006 Jul; 110(29):9212-8. PubMed ID: 16854035
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Communication: Conical intersections using constrained density functional theory-configuration interaction.
    Kaduk B; Van Voorhis T
    J Chem Phys; 2010 Aug; 133(6):061102. PubMed ID: 20707553
    [TBL] [Abstract][Full Text] [Related]  

  • 50. 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]  

  • 51. An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings.
    Pavanello M; Van Voorhis T; Visscher L; Neugebauer J
    J Chem Phys; 2013 Feb; 138(5):054101. PubMed ID: 23406092
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Theoretical study on photo-induced processes of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium halide species: an application of constrained density functional theory.
    Otsuka T; Sumita M; Izawa H; Morihashi K
    Phys Chem Chem Phys; 2018 Feb; 20(6):3911-3917. PubMed ID: 29242878
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Electronic properties of disordered organic semiconductors via QM/MM simulations.
    Difley S; Wang LP; Yeganeh S; Yost SR; Van Voorhis T
    Acc Chem Res; 2010 Jul; 43(7):995-1004. PubMed ID: 20443554
    [TBL] [Abstract][Full Text] [Related]  

  • 54. On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes.
    Mao Y; Ge Q; Horn PR; Head-Gordon M
    J Chem Theory Comput; 2018 May; 14(5):2401-2417. PubMed ID: 29614855
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Computational Analysis of Electron Transfer Kinetics for CO
    Kron KJ; Gomez SJ; Mao Y; Cave RJ; Mallikarjun Sharada S
    J Phys Chem A; 2020 Jul; 124(26):5359-5368. PubMed ID: 32491858
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome c(4).
    Nazmutdinov RR; Bronshtein MD; Zinkicheva TT; Chi Q; Zhang J; Ulstrup J
    Phys Chem Chem Phys; 2012 May; 14(17):5953-65. PubMed ID: 22430606
    [TBL] [Abstract][Full Text] [Related]  

  • 57. A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics.
    Valero R; Truhlar DG
    J Phys Chem A; 2007 Sep; 111(35):8536-51. PubMed ID: 17691756
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Through-bond versus through-space coupling in mixed-valence molecules: observation of electron localization at the single-molecule scale.
    Quardokus RC; Lu Y; Wasio NA; Lent CS; Justaud F; Lapinte C; Kandel SA
    J Am Chem Soc; 2012 Jan; 134(3):1710-4. PubMed ID: 22176039
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Coarse-Grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise.
    Liu C; Beratan DN; Zhang P
    J Phys Chem B; 2016 Apr; 120(15):3624-33. PubMed ID: 27008541
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Charge localization in isolated mixed-valence complexes: an STM and theoretical study.
    Lu Y; Quardokus R; Lent CS; Justaud F; Lapinte C; Kandel SA
    J Am Chem Soc; 2010 Sep; 132(38):13519-24. PubMed ID: 20822142
    [TBL] [Abstract][Full Text] [Related]  

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