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 *

179 related articles for article (PubMed ID: 25053310)

  • 1. Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method.
    Schröder M; Meyer HD
    J Chem Phys; 2014 Jul; 141(3):034116. PubMed ID: 25053310
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach.
    Schröder M; Gatti F; Meyer HD
    J Chem Phys; 2011 Jun; 134(23):234307. PubMed ID: 21702556
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde.
    Hammer T; Coutinho-Neto MD; Viel A; Manthe U
    J Chem Phys; 2009 Dec; 131(22):224109. PubMed ID: 20001026
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Intramolecular proton transfer in malonaldehyde: accurate multilayer multi-configurational time-dependent Hartree calculations.
    Hammer T; Manthe U
    J Chem Phys; 2011 Jun; 134(22):224305. PubMed ID: 21682512
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Full-dimensional quantum calculations of the vibrational states of H5(+).
    Song H; Lee SY; Yang M; Lu Y
    J Chem Phys; 2013 Mar; 138(12):124309. PubMed ID: 23556725
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum.
    Vendrell O; Brill M; Gatti F; Lauvergnat D; Meyer HD
    J Chem Phys; 2009 Jun; 130(23):234305. PubMed ID: 19548725
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: excited state tunneling splittings in malonaldehyde.
    Hammer T; Manthe U
    J Chem Phys; 2012 Feb; 136(5):054105. PubMed ID: 22320723
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O2(-) complex.
    Peláez D; Sadri K; Meyer HD
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Feb; 119():42-51. PubMed ID: 23831046
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface.
    McCoy AB; Huang X; Carter S; Landeweer MY; Bowman JM
    J Chem Phys; 2005 Feb; 122(6):061101. PubMed ID: 15740358
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Communication: Prediction of the rate constant of bimolecular hydrogen exchange in the water dimer using an ab initio potential energy surface.
    Wang Y; Bowman JM; Huang X
    J Chem Phys; 2010 Sep; 133(11):111103. PubMed ID: 20866118
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Large-amplitude dynamics in vinyl radical: the role of quantum tunneling as an isomerization mechanism.
    Sharma AR; Bowman JM; Nesbitt DJ
    J Chem Phys; 2012 Jan; 136(3):034305. PubMed ID: 22280758
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Vibrational dynamics of the CH4·F- complex.
    Wodraszka R; Palma J; Manthe U
    J Phys Chem A; 2012 Nov; 116(46):11249-59. PubMed ID: 22731911
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Blueshift and intramolecular tunneling of NH3 umbrella mode in 4He n clusters.
    Viel A; Whaley KB; Wheatley RJ
    J Chem Phys; 2007 Nov; 127(19):194303. PubMed ID: 18035879
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.
    Wang Y; Braams BJ; Bowman JM; Carter S; Tew DP
    J Chem Phys; 2008 Jun; 128(22):224314. PubMed ID: 18554020
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Vibrational dynamics of the H5(+) and its isotopologues from multiconfiguration time-dependent Hartree calculations.
    Valdés Á; Prosmiti R; Delgado-Barrio G
    J Chem Phys; 2012 Dec; 137(21):214308. PubMed ID: 23231232
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Vibrational Tunneling Spectra of Molecules with Asymmetric Wells: A Combined Vibrational Configuration Interaction and Instanton Approach.
    Eraković M; Cvitaš MT
    J Chem Theory Comput; 2022 May; 18(5):2785-2802. PubMed ID: 35439012
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Infrared spectroscopy and tunneling dynamics of the vinyl radical in 4He nanodroplets.
    Raston PL; Liang T; Douberly GE
    J Chem Phys; 2013 May; 138(17):174302. PubMed ID: 23656129
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Diffusion Monte Carlo approaches for evaluating rotationally excited states of symmetric top molecules: application to H(3)O(+) and D(3)O(+).
    Petit AS; McCoy AB
    J Phys Chem A; 2009 Nov; 113(45):12706-14. PubMed ID: 19678634
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Communication: rigorous calculation of dissociation energies (D0) of the water trimer, (H2O)3 and (D2O)3.
    Wang Y; Bowman JM
    J Chem Phys; 2011 Oct; 135(13):131101. PubMed ID: 21992272
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.