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)

  • 21. Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state.
    Vendrell O; Gatti F; Lauvergnat D; Meyer HD
    J Chem Phys; 2007 Nov; 127(18):184302. PubMed ID: 18020634
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Ab initio large-amplitude quantum-tunneling dynamics in vinyl radical: a vibrationally adiabatic approach.
    Nesbitt DJ; Dong F
    Phys Chem Chem Phys; 2008 Apr; 10(15):2113-22. PubMed ID: 18688365
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Vibrational quenching of excitonic splittings in H-bonded molecular dimers: adiabatic description and effective mode approximation.
    Kopec S; Ottiger P; Leutwyler S; Köppel H
    J Chem Phys; 2012 Nov; 137(18):184312. PubMed ID: 23163376
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations.
    Huang J; Buchowiecki M; Nagy T; Vaníček J; Meuwly M
    Phys Chem Chem Phys; 2014 Jan; 16(1):204-11. PubMed ID: 24233185
    [TBL] [Abstract][Full Text] [Related]  

  • 25. One-dimensional tunneling calculations in the imaginary-frequency, rectilinear saddle-point normal mode.
    Wang Y; Bowman JM
    J Chem Phys; 2008 Sep; 129(12):121103. PubMed ID: 19044995
    [TBL] [Abstract][Full Text] [Related]  

  • 26. MCTDH study on vibrational states of the CO/Cu(100) system.
    Meng Q; Meyer HD
    J Chem Phys; 2013 Oct; 139(16):164709. PubMed ID: 24182066
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Self-trapping of the N-H vibrational mode in alpha-helical polypeptides.
    Tsivlin DV; May V
    J Chem Phys; 2006 Dec; 125(22):224902. PubMed ID: 17176162
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Large curvature tunnelling on the reaction path.
    Luckhaus D
    Phys Chem Chem Phys; 2008 Nov; 10(41):6215-22. PubMed ID: 18936844
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Full dimensional quantum calculations of vibrational energies of N-methyl acetamide.
    Kaledin AL; Bowman JM
    J Phys Chem A; 2007 Jun; 111(25):5593-8. PubMed ID: 17547383
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Accurate ab initio and "hybrid" potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer.
    Shank A; Wang Y; Kaledin A; Braams BJ; Bowman JM
    J Chem Phys; 2009 Apr; 130(14):144314. PubMed ID: 19368452
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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]  

  • 32. Reduced-dimensional quantum approach to tunneling splittings using saddle-point normal coordinates.
    Kamarchik E; Wang Y; Bowman J
    J Phys Chem A; 2009 Jul; 113(26):7556-62. PubMed ID: 19552477
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
    Gurtubay IG; Needs RJ
    J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
    [TBL] [Abstract][Full Text] [Related]  

  • 34. 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]  

  • 35. (HCl)2 and (HF)2 in small helium clusters: quantum solvation of hydrogen-bonded dimers.
    Jiang H; Sarsa A; Murdachaew G; Szalewicz K; Bacić Z
    J Chem Phys; 2005 Dec; 123(22):224313. PubMed ID: 16375482
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Mode-specific tunneling using the Qim path: theory and an application to full-dimensional malonaldehyde.
    Wang Y; Bowman JM
    J Chem Phys; 2013 Oct; 139(15):154303. PubMed ID: 24160509
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. Electronically excited rubidium atom in helium clusters and films. II. Second excited state and absorption spectrum.
    Leino M; Viel A; Zillich RE
    J Chem Phys; 2011 Jan; 134(2):024316. PubMed ID: 21241108
    [TBL] [Abstract][Full Text] [Related]  

  • 39. A new four-dimensional ab initio potential energy surface for N2O-He and vibrational band origin shifts for the N2O-He(N) clusters with N = 1-40.
    Wang L; Xie D; Le Roy RJ; Roy PN
    J Chem Phys; 2012 Sep; 137(10):104311. PubMed ID: 22979863
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Simulation of vibrational dephasing of I(2) in solid Kr using the semiclassical Liouville method.
    Riga JM; Fredj E; Martens CC
    J Chem Phys; 2006 Feb; 124(6):64506. PubMed ID: 16483219
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.