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 *

230 related articles for article (PubMed ID: 27775889)

  • 1. Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton Calculations.
    Beyer AN; Richardson JO; Knowles PJ; Rommel J; Althorpe SC
    J Phys Chem Lett; 2016 Nov; 7(21):4374-4379. PubMed ID: 27775889
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Locating Instantons in Calculations of Tunneling Splittings: The Test Case of Malonaldehyde.
    Cvitaš MT; Althorpe SC
    J Chem Theory Comput; 2016 Feb; 12(2):787-803. PubMed ID: 26756608
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Dual-Level Approach to Instanton Theory.
    Meisner J; Kästner J
    J Chem Theory Comput; 2018 Apr; 14(4):1865-1872. PubMed ID: 29529360
    [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. Kinetic isotope effects and how to describe them.
    Karandashev K; Xu ZH; Meuwly M; Vaníček J; Richardson JO
    Struct Dyn; 2017 Nov; 4(6):061501. PubMed ID: 29282447
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Perspective: Ring-polymer instanton theory.
    Richardson JO
    J Chem Phys; 2018 May; 148(20):200901. PubMed ID: 29865828
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Divide-and-Conquer Method for Instanton Rate Theory.
    Winter P; Richardson JO
    J Chem Theory Comput; 2019 May; 15(5):2816-2825. PubMed ID: 30896945
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Quadratic String Method for Locating Instantons in Tunneling Splitting Calculations.
    Cvitaš MT
    J Chem Theory Comput; 2018 Mar; 14(3):1487-1500. PubMed ID: 29360359
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Calculation of chemical reaction rate constants using on-the-fly high level electronic structure computations with account of multidimensional tunneling.
    Kryvohuz M
    J Chem Phys; 2012 Dec; 137(23):234304. PubMed ID: 23267483
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Rate constants from instanton theory via a microcanonical approach.
    McConnell SR; Löhle A; Kästner J
    J Chem Phys; 2017 Feb; 146(7):074105. PubMed ID: 28228015
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ring-polymer instanton method for calculating tunneling splittings.
    Richardson JO; Althorpe SC
    J Chem Phys; 2011 Feb; 134(5):054109. PubMed ID: 21303094
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Efficient algorithms for semiclassical instanton calculations based on discretized path integrals.
    Kawatsu T; Miura S
    J Chem Phys; 2014 Jul; 141(2):024101. PubMed ID: 25027993
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Kinetic isotope effects calculated with the instanton method.
    Meisner J; Rommel JB; Kästner J
    J Comput Chem; 2011 Dec; 32(16):3456-63. PubMed ID: 21898468
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab initio instanton rate theory made efficient using Gaussian process regression.
    Laude G; Calderini D; Tew DP; Richardson JO
    Faraday Discuss; 2018 Dec; 212(0):237-258. PubMed ID: 30230495
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. On the efficient path integral evaluation of thermal rate constants within the quantum instanton approximation.
    Yamamoto T; Miller WH
    J Chem Phys; 2004 Feb; 120(7):3086-99. PubMed ID: 15268461
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.
    Zhao Y; Yamamoto T; Miller WH
    J Chem Phys; 2004 Feb; 120(7):3100-7. PubMed ID: 15268462
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quantum instanton evaluation of the thermal rate constants and kinetic isotope effects for SiH4+H-->SiH3+H2 reaction in full Cartesian space.
    Wang W; Feng S; Zhao Y
    J Chem Phys; 2007 Mar; 126(11):114307. PubMed ID: 17381206
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accelerating quantum instanton calculations of the kinetic isotope effects.
    Karandashev K; Vaníček J
    J Chem Phys; 2015 Nov; 143(19):194104. PubMed ID: 26590524
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.