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 *

252 related articles for article (PubMed ID: 21682512)

  • 41. The effects of asymmetric motions on the tunneling splittings in formic acid dimer.
    Barnes GL; Sibert EL
    J Chem Phys; 2008 Oct; 129(16):164317. PubMed ID: 19045276
    [TBL] [Abstract][Full Text] [Related]  

  • 42. 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]  

  • 43. Photodissociation of CH3I: a full-dimensional (9D) quantum dynamics study.
    Evenhuis CR; Manthe U
    J Phys Chem A; 2011 Jun; 115(23):5992-6001. PubMed ID: 21309540
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Fast Shepard interpolation on graphics processing units: potential energy surfaces and dynamics for H + CH4 → H2 + CH3.
    Welsch R; Manthe U
    J Chem Phys; 2013 Apr; 138(16):164118. PubMed ID: 23635122
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Layered discrete variable representations and their application within the multiconfigurational time-dependent Hartree approach.
    Manthe U
    J Chem Phys; 2009 Feb; 130(5):054109. PubMed ID: 19206960
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H + CH4 → H2 + CH3 rate constants for different potentials.
    Welsch R; Manthe U
    J Chem Phys; 2012 Dec; 137(24):244106. PubMed ID: 23277927
    [TBL] [Abstract][Full Text] [Related]  

  • 47. MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces.
    Wang Y; Carter S; Braams BJ; Bowman JM
    J Chem Phys; 2008 Feb; 128(7):071101. PubMed ID: 18298132
    [TBL] [Abstract][Full Text] [Related]  

  • 48. HOCl Ro-vibrational bound-state calculations for nonzero total angular momentum.
    Zhang H; Smith SC; Nanbu S; Nakamura H
    J Phys Chem A; 2006 Apr; 110(16):5468-74. PubMed ID: 16623477
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Coherent nuclear wavepacket motions in ultrafast excited-state intramolecular proton transfer: sub-30-fs resolved pump-probe absorption spectroscopy of 10-hydroxybenzo[h]quinoline in solution.
    Takeuchi S; Tahara T
    J Phys Chem A; 2005 Nov; 109(45):10199-207. PubMed ID: 16833312
    [TBL] [Abstract][Full Text] [Related]  

  • 50. 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]  

  • 51. A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water.
    Yamada A; Kojima H; Okazaki S
    J Chem Phys; 2014 Aug; 141(8):084509. PubMed ID: 25173023
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Quantum dynamics of the H+CH4-->H2+CH3 reaction in curvilinear coordinates: full-dimensional and reduced dimensional calculations of reaction rates.
    Schiffel G; Manthe U
    J Chem Phys; 2010 Feb; 132(8):084103. PubMed ID: 20192286
    [TBL] [Abstract][Full Text] [Related]  

  • 53. The dynamics of the H(+) + D(2) reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results.
    Jambrina PG; Aoiz FJ; Bulut N; Smith SC; Balint-Kurti GG; Hankel M
    Phys Chem Chem Phys; 2010 Feb; 12(5):1102-15. PubMed ID: 20094675
    [TBL] [Abstract][Full Text] [Related]  

  • 54. An eight-degree-of-freedom, time-dependent quantum dynamics study for the H2+C2H reaction on a new modified potential energy surface.
    Wang D; Huo WM
    J Chem Phys; 2007 Oct; 127(15):154304. PubMed ID: 17949146
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Quantum Monte Carlo calculations of the dissociation energy of the water dimer.
    Benedek NA; Snook IK; Towler MD; Needs RJ
    J Chem Phys; 2006 Sep; 125(10):104302. PubMed ID: 16999521
    [TBL] [Abstract][Full Text] [Related]  

  • 56. 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]  

  • 57. Vibrational specificity of proton-transfer dynamics in ground-state tropolone.
    Murdock D; Burns LA; Vaccaro PH
    Phys Chem Chem Phys; 2010 Aug; 12(29):8285-99. PubMed ID: 20567783
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Mechanistic aspects of proton chain transfer in the green fluorescent protein. Part II. A comparison of minimal quantum chemical models.
    Wang S; Smith SC
    Phys Chem Chem Phys; 2007 Jan; 9(4):452-8. PubMed ID: 17216060
    [TBL] [Abstract][Full Text] [Related]  

  • 59. A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: an ab initio potential energy surface and its empirical valence bond model.
    Ando K; Hayashi S; Kato S
    Phys Chem Chem Phys; 2011 Jun; 13(23):11118-27. PubMed ID: 21552642
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Concerted hydrogen exchange tunneling in formic acid dimer.
    Luckhaus D
    J Phys Chem A; 2006 Mar; 110(9):3151-8. PubMed ID: 16509638
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 13.