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 *

327 related articles for article (PubMed ID: 25027993)

  • 1. 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]  

  • 2. The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.
    Viel A; Coutinho-Neto MD; Manthe U
    J Chem Phys; 2007 Jan; 126(2):024308. PubMed ID: 17228955
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Tunneling splitting and decay of metastable states in polyatomic molecules: invariant instanton theory.
    Mil'nikov G; Nakamura H
    Phys Chem Chem Phys; 2008 Mar; 10(10):1374-93. PubMed ID: 18309393
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Instanton calculations of tunneling splittings for water dimer and trimer.
    Richardson JO; Althorpe SC; Wales DJ
    J Chem Phys; 2011 Sep; 135(12):124109. PubMed ID: 21974514
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation.
    Buchowiecki M; Vanícek J
    J Chem Phys; 2010 May; 132(19):194106. PubMed ID: 20499950
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio molecular dynamics approach to tunneling splitting in polyatomic molecules.
    Ootani Y; Taketsugu T
    J Comput Chem; 2012 Jan; 33(1):60-5. PubMed ID: 21956595
    [TBL] [Abstract][Full Text] [Related]  

  • 9. On the derivation of semiclassical expressions for quantum reaction rate constants in multidimensional systems.
    Kryvohuz M
    J Chem Phys; 2013 Jun; 138(24):244114. PubMed ID: 23822234
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate calculation of tunneling splittings in water clusters using path-integral based methods.
    Zhu YC; Yang S; Zeng JX; Fang W; Jiang L; Zhang DH; Li XZ
    J Chem Phys; 2023 Jun; 158(22):. PubMed ID: 37290067
    [TBL] [Abstract][Full Text] [Related]  

  • 11. On the connection of semiclassical instanton theory with Marcus theory for electron transfer in solution.
    Shushkov P
    J Chem Phys; 2013 Jun; 138(22):224102. PubMed ID: 23781778
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Tunneling splittings of vibrationally excited states using general instanton paths.
    Eraković M; Cvitaš MT
    J Chem Phys; 2020 Oct; 153(13):134106. PubMed ID: 33032414
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Simple and accurate method to evaluate tunneling splitting in polyatomic molecules.
    Mil'nikov GV; Yagi K; Taketsugu T; Nakamura H; Hirao K
    J Chem Phys; 2004 Mar; 120(11):5036-45. PubMed ID: 15267369
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Instanton theory of ground-state tunneling splittings with general paths.
    Eraković M; Vaillant CL; Cvitaš MT
    J Chem Phys; 2020 Feb; 152(8):084111. PubMed ID: 32113369
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. 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]  

  • 19. Instanton and noninstanton tunneling in periodically perturbed barriers: semiclassical and quantum interpretations.
    Takahashi K; Ikeda KS
    Phys Rev E Stat Nonlin Soft Matter Phys; 2012 Nov; 86(5 Pt 2):056206. PubMed ID: 23214856
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 17.