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 *

291 related articles for article (PubMed ID: 16613440)

  • 1. The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker JL; Bowman JM
    J Chem Phys; 2006 Apr; 124(13):131102. PubMed ID: 16613440
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The calculated infrared spectrum of Cl-H2O using a new full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker J; Bowman JM
    J Chem Phys; 2006 Oct; 125(13):133206. PubMed ID: 17029453
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio potential energy and dipole moment surfaces for H5O2 +.
    Huang X; Braams BJ; Bowman JM
    J Chem Phys; 2005 Jan; 122(4):44308. PubMed ID: 15740249
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio potential energy and dipole moment surfaces of (H2O)2.
    Huang X; Braams BJ; Bowman JM
    J Phys Chem A; 2006 Jan; 110(2):445-51. PubMed ID: 16405316
    [TBL] [Abstract][Full Text] [Related]  

  • 5. An ab initio potential surface describing abstraction and exchange for H+CH4.
    Zhang X; Braams BJ; Bowman JM
    J Chem Phys; 2006 Jan; 124(2):021104. PubMed ID: 16422563
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2009 Aug; 131(5):054511. PubMed ID: 19673578
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer.
    Wang Y; Huang X; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2011 Mar; 134(9):094509. PubMed ID: 21384987
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G; Braams BJ; Bowman JM
    J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An ab initio based global potential energy surface describing CH5+ --> CH3+ + H2.
    Jin Z; Braams BJ; Bowman JM
    J Phys Chem A; 2006 Feb; 110(4):1569-74. PubMed ID: 16435818
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach.
    Brown A; McCoy AB; Braams BJ; Jin Z; Bowman JM
    J Chem Phys; 2004 Sep; 121(9):4105-16. PubMed ID: 15332956
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio global potential-energy surface for H5(+) --> H3(+) + H2.
    Xie Z; Braams BJ; Bowman JM
    J Chem Phys; 2005 Jun; 122(22):224307. PubMed ID: 15974668
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Potential energy surface and MULTIMODE vibrational analysis of C2H3+.
    Sharma AR; Wu J; Braams BJ; Carter S; Schneider R; Shepler B; Bowman JM
    J Chem Phys; 2006 Dec; 125(22):224306. PubMed ID: 17176140
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane.
    Oyanagi C; Yagi K; Taketsugu T; Hirao K
    J Chem Phys; 2006 Feb; 124(6):64311. PubMed ID: 16483211
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential.
    Kamarchik E; Wang Y; Bowman JM
    J Chem Phys; 2011 Mar; 134(11):114311. PubMed ID: 21428623
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC+.
    Li H; Hirano T; Amano T; Le Roy RJ
    J Chem Phys; 2008 Dec; 129(24):244306. PubMed ID: 19123506
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN; Zheng J; Lin H; Jensen P; Thiel W
    J Chem Phys; 2005 Oct; 123(13):134308. PubMed ID: 16223289
    [TBL] [Abstract][Full Text] [Related]  

  • 17. New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.
    Huang X; Braams BJ; Bowman JM; Kelly RE; Tennyson J; Groenenboom GC; van der Avoird A
    J Chem Phys; 2008 Jan; 128(3):034312. PubMed ID: 18205503
    [TBL] [Abstract][Full Text] [Related]  

  • 18. MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO⁺(H₂O) cluster using accurate potential energy and dipole moment surfaces.
    Homayoon Z
    J Chem Phys; 2014 Sep; 141(12):124311. PubMed ID: 25273441
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl.
    Sharma AR; Braams BJ; Carter S; Shepler BC; Bowman JM
    J Chem Phys; 2009 May; 130(17):174301. PubMed ID: 19425770
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Calculation of the O-H stretching vibrational overtone spectrum of the water dimer.
    Salmi T; Hänninen V; Garden AL; Kjaergaard HG; Tennyson J; Halonen L
    J Phys Chem A; 2008 Jul; 112(28):6305-12. PubMed ID: 18572900
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.