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 *

138 related articles for article (PubMed ID: 32241127)

  • 1. Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches.
    Tao X; Shushkov P; Miller TF
    J Chem Phys; 2020 Mar; 152(12):124117. PubMed ID: 32241127
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions.
    Menzeleev AR; Bell F; Miller TF
    J Chem Phys; 2014 Feb; 140(6):064103. PubMed ID: 24527896
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects.
    Kretchmer JS; Miller Iii TF
    Faraday Discuss; 2016 Dec; 195():191-214. PubMed ID: 27722690
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory.
    Richardson JO; Althorpe SC
    J Chem Phys; 2009 Dec; 131(21):214106. PubMed ID: 19968336
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Cayley modification for strongly stable path-integral and ring-polymer molecular dynamics.
    Korol R; Bou-Rabee N; Miller TF
    J Chem Phys; 2019 Sep; 151(12):124103. PubMed ID: 31575166
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Direct simulation of proton-coupled electron transfer across multiple regimes.
    Kretchmer JS; Miller TF
    J Chem Phys; 2013 Apr; 138(13):134109. PubMed ID: 23574210
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. A comparative study of the centroid and ring-polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals.
    Pérez A; Tuckerman ME; Müser MH
    J Chem Phys; 2009 May; 130(18):184105. PubMed ID: 19449906
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.
    Habershon S; Braams BJ; Manolopoulos DE
    J Chem Phys; 2007 Nov; 127(17):174108. PubMed ID: 17994808
    [TBL] [Abstract][Full Text] [Related]  

  • 10. How to remove the spurious resonances from ring polymer molecular dynamics.
    Rossi M; Ceriotti M; Manolopoulos DE
    J Chem Phys; 2014 Jun; 140(23):234116. PubMed ID: 24952532
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics.
    Tao X; Shushkov P; Miller TF
    J Chem Phys; 2018 Mar; 148(10):102327. PubMed ID: 29544332
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics.
    Duke JR; Ananth N
    J Phys Chem Lett; 2015 Nov; 6(21):4219-23. PubMed ID: 26722962
    [TBL] [Abstract][Full Text] [Related]  

  • 13. On the short-time limit of ring polymer molecular dynamics.
    Braams BJ; Manolopoulos DE
    J Chem Phys; 2006 Sep; 125(12):124105. PubMed ID: 17014164
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Non-adiabatic Matsubara dynamics and non-adiabatic ring-polymer molecular dynamics.
    Chowdhury SN; Huo P
    J Chem Phys; 2021 Mar; 154(12):124124. PubMed ID: 33810665
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Bimolecular reaction rates from ring polymer molecular dynamics: application to H + CH4 → H2 + CH3.
    Suleimanov YV; Collepardo-Guevara R; Manolopoulos DE
    J Chem Phys; 2011 Jan; 134(4):044131. PubMed ID: 21280711
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids.
    Menzeleev AR; Miller TF
    J Chem Phys; 2010 Jan; 132(3):034106. PubMed ID: 20095727
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + H.
    Pérez de Tudela R; Aoiz FJ; Suleimanov YV; Manolopoulos DE
    J Phys Chem Lett; 2012 Feb; 3(4):493-7. PubMed ID: 26286053
    [TBL] [Abstract][Full Text] [Related]  

  • 18. On the calculation of quantum mechanical electron transfer rates.
    Lawrence JE; Fletcher T; Lindoy LP; Manolopoulos DE
    J Chem Phys; 2019 Sep; 151(11):114119. PubMed ID: 31542014
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Non-adiabatic ring polymer molecular dynamics in the phase space of the SU(N) Lie group.
    Bossion D; Chowdhury SN; Huo P
    J Chem Phys; 2023 Jan; 158(4):044123. PubMed ID: 36725494
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Microcanonical Tunneling Rates from Density-of-States Instanton Theory.
    Fang W; Winter P; Richardson JO
    J Chem Theory Comput; 2021 Jan; 17(1):40-55. PubMed ID: 33351621
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.