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 *

287 related articles for article (PubMed ID: 22320723)

  • 1. 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]  

  • 2. 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]  

  • 3. A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems.
    Wodraszka R; Manthe U
    J Chem Phys; 2012 Mar; 136(12):124119. PubMed ID: 22462847
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Theoretical study of proton tunneling in the excited state of tropolone.
    Wójcik MJ; Boda Ł; Boczar M
    J Chem Phys; 2009 Apr; 130(16):164306. PubMed ID: 19405578
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clusters.
    Valdés A; Prosmiti R; Villarreal P; Delgado-Barrio G
    J Chem Phys; 2011 Aug; 135(5):054303. PubMed ID: 21823696
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The state averaged multiconfigurational time-dependent Hartree approach: vibrational state and reaction rate calculations.
    Manthe U
    J Chem Phys; 2008 Feb; 128(6):064108. PubMed ID: 18282029
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Iterative diagonalization in the multiconfigurational time-dependent Hartree approach: ro-vibrational eigenstates.
    Wodraszka R; Manthe U
    J Phys Chem A; 2013 Aug; 117(32):7246-55. PubMed ID: 23565665
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Eigenstate calculation in the state-averaged (multi-layer) multi-configurational time-dependent Hartree approach.
    Hoppe H; Manthe U
    J Chem Phys; 2024 Jan; 160(3):. PubMed ID: 38230812
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. The ground state tunneling splitting of malonaldehyde: accurate full dimensional quantum dynamics calculations.
    Coutinho-Neto MD; Viel A; Manthe U
    J Chem Phys; 2004 Nov; 121(19):9207-10. PubMed ID: 15538840
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Jet cooled spectroscopy of H2DO+: Barrier heights and isotope-dependent tunneling dynamics from H3O+ to D3O+.
    Dong F; Nesbitt DJ
    J Chem Phys; 2006 Oct; 125(14):144311. PubMed ID: 17042594
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Vibration-rotation-tunneling levels of the water dimer from an ab initio potential surface with flexible monomers.
    Leforestier C; van Harrevelt R; van der Avoird A
    J Phys Chem A; 2009 Nov; 113(44):12285-94. PubMed ID: 19476322
    [TBL] [Abstract][Full Text] [Related]  

  • 16. New ab initio potential energy surfaces for both the ground (X̃1A') and excited (Ã1A″) electronic states of HSiCl and the absorption and emission spectra of HSiCl/DSiCl.
    Lin S; Xie D
    J Comput Chem; 2011 Jun; 32(8):1694-702. PubMed ID: 21370239
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Tunneling splittings in formic acid dimer: an adiabatic approximation to the Herring formula.
    Jain A; Sibert EL
    J Chem Phys; 2015 Feb; 142(8):084115. PubMed ID: 25725720
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Infrared spectra and tunneling dynamics of the N2-D2O and OC-D2O complexes in the v2 bend region of D2O.
    Zhu Y; Zheng R; Li S; Yang Y; Duan C
    J Chem Phys; 2013 Dec; 139(21):214309. PubMed ID: 24320382
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ground and asymmetric CO-stretch excited state tunneling splittings in the formic acid dimer.
    Matanović I; Doslić N; Kühn O
    J Chem Phys; 2007 Jul; 127(1):014309. PubMed ID: 17627348
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.