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 *

203 related articles for article (PubMed ID: 26626108)

  • 21. Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field.
    Pai SJ; Lee HW; Han SS
    J Phys Chem Lett; 2019 Nov; 10(22):7293-7299. PubMed ID: 31709800
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Dynamics of the dissociation of hydrogen on stepped platinum surfaces using the ReaxFF reactive force field.
    Ludwig J; Vlachos DG; van Duin AC; Goddard WA
    J Phys Chem B; 2006 Mar; 110(9):4274-82. PubMed ID: 16509724
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Development of a ReaxFF reactive force field for aqueous chloride and copper chloride.
    Rahaman O; van Duin AC; Bryantsev VS; Mueller JE; Solares SD; Goddard WA; Doren DJ
    J Phys Chem A; 2010 Mar; 114(10):3556-68. PubMed ID: 20180586
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Parameterizing complex reactive force fields using multiple objective evolutionary strategies (MOES): Part 2: transferability of ReaxFF models to C-H-N-O energetic materials.
    Rice BM; Larentzos JP; Byrd EF; Weingarten NS
    J Chem Theory Comput; 2015 Feb; 11(2):392-405. PubMed ID: 26580903
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene.
    Xiao H; Shi X; Hao F; Liao X; Zhang Y; Chen X
    J Phys Chem A; 2017 Aug; 121(32):6135-6149. PubMed ID: 28723088
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Reactive Force Field Study of Li/C Systems for Electrical Energy Storage.
    Raju M; Ganesh P; Kent PR; van Duin AC
    J Chem Theory Comput; 2015 May; 11(5):2156-66. PubMed ID: 26574418
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Multiscale modeling of interaction of alane clusters on Al(111) surfaces: a reactive force field and infrared absorption spectroscopy approach.
    Ojwang JG; Chaudhuri S; van Duin AC; Chabal YJ; Veyan JF; van Santen R; Kramer GJ; Goddard WA
    J Chem Phys; 2010 Feb; 132(8):084509. PubMed ID: 20192309
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Reactive Molecular Dynamics Simulation of Fullerene Combustion Synthesis: ReaxFF vs DFTB Potentials.
    Qian HJ; van Duin AC; Morokuma K; Irle S
    J Chem Theory Comput; 2011 Jul; 7(7):2040-8. PubMed ID: 26606475
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Parameterization of a reactive force field using a Monte Carlo algorithm.
    Iype E; Hütter M; Jansen AP; Nedea SV; Rindt CC
    J Comput Chem; 2013 May; 34(13):1143-54. PubMed ID: 23420666
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Modeling the sorption dynamics of NaH using a reactive force field.
    Ojwang JG; van Santen R; Kramer GJ; van Duin AC; Goddard WA
    J Chem Phys; 2008 Apr; 128(16):164714. PubMed ID: 18447486
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Development of a ReaxFF reactive force field for tetrabutylphosphonium glycinate/CO2 mixtures.
    Zhang B; van Duin AC; Johnson JK
    J Phys Chem B; 2014 Oct; 118(41):12008-16. PubMed ID: 25285669
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Development of a ReaxFF potential for Pd∕O and application to palladium oxide formation.
    Senftle TP; Meyer RJ; Janik MJ; van Duin AC
    J Chem Phys; 2013 Jul; 139(4):044109. PubMed ID: 23901962
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel.
    Chenoweth K; van Duin AC; Dasgupta S; Goddard WA
    J Phys Chem A; 2009 Mar; 113(9):1740-6. PubMed ID: 19209880
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Molecular dynamics simulations of laser-induced incandescence of soot using an extended ReaxFF reactive force field.
    Kamat AM; van Duin AC; Yakovlev A
    J Phys Chem A; 2010 Dec; 114(48):12561-72. PubMed ID: 21067165
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Stability and reactivity of ϵ-χ-θ iron carbide catalyst phases in Fischer-Tropsch synthesis: controlling μ(C).
    de Smit E; Cinquini F; Beale AM; Safonova OV; van Beek W; Sautet P; Weckhuysen BM
    J Am Chem Soc; 2010 Oct; 132(42):14928-41. PubMed ID: 20925335
    [TBL] [Abstract][Full Text] [Related]  

  • 36. ReaxFF reactive force field development and applications for molecular dynamics simulations of ammonia borane dehydrogenation and combustion.
    Weismiller MR; van Duin AC; Lee J; Yetter RA
    J Phys Chem A; 2010 May; 114(17):5485-92. PubMed ID: 20384351
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Effect of Cementite on the Hydrogen Diffusion/Trap Characteristics of 2.25Cr-1Mo-0.25V Steel with and without Annealing.
    Song Y; Han Z; Chai M; Yang B; Liu Y; Cheng G; Li Y; Ai S
    Materials (Basel); 2018 May; 11(5):. PubMed ID: 29757223
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Development of a ReaxFF reactive force field for ettringite and study of its mechanical failure modes from reactive dynamics simulations.
    Liu L; Jaramillo-Botero A; Goddard WA; Sun H
    J Phys Chem A; 2012 Apr; 116(15):3918-25. PubMed ID: 22413941
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Development of a transferable reactive force field for cobalt.
    Labrosse MR; Johnson JK; van Duin AC
    J Phys Chem A; 2010 May; 114(18):5855-61. PubMed ID: 20394398
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Reactive molecular dynamics simulation on the disintegration of Kapton, POSS polyimide, amorphous silica, and teflon during atomic oxygen impact using the ReaxFF reactive force-field method.
    Rahnamoun A; van Duin AC
    J Phys Chem A; 2014 Apr; 118(15):2780-7. PubMed ID: 24679339
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.