BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

250 related articles for article (PubMed ID: 18513022)

  • 1. The theoretical prediction of infrared spectra of trans- and cis-hydroxycarbene calculated using full dimensional ab initio potential energy and dipole moment surfaces.
    Koziol L; Wang Y; Braams BJ; Bowman JM; Krylov AI
    J Chem Phys; 2008 May; 128(20):204310. PubMed ID: 18513022
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio calculation of the photoelectron spectra of the hydroxycarbene diradicals.
    Koziol L; Mozhayskiy VA; Braams BJ; Bowman JM; Krylov AI
    J Phys Chem A; 2009 Jul; 113(27):7802-9. PubMed ID: 19569718
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO.
    McCoy AB; Fry JL; Francisco JS; Mollner AK; Okumura M
    J Chem Phys; 2005 Mar; 122(10):104311. PubMed ID: 15836319
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. 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]  

  • 6. Accurate theoretical near-equilibrium potential energy and dipole moment surfaces of HgClO and HgBrO.
    Balabanov NB; Peterson KA
    J Chem Phys; 2004 Apr; 120(14):6585-92. PubMed ID: 15267550
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Time-dependent wave packet study on trans-cis isomerization of HONO.
    Richter F; Rosmus P; Gatti F; Meyer HD
    J Chem Phys; 2004 Apr; 120(13):6072-84. PubMed ID: 15267491
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Vibrational overtone spectrum of matrix isolated cis, cis-HOONO.
    Zhang X; Nimlos MR; Ellison GB; Varner ME; Stanton JF
    J Chem Phys; 2007 May; 126(17):174308. PubMed ID: 17492864
    [TBL] [Abstract][Full Text] [Related]  

  • 11. QTAIM charge-charge flux-dipole flux models for the infrared fundamental intensities of difluoro- and dichloroethylenes.
    da Silva JV; Faria SH; Haiduke RL; Bruns RE
    J Phys Chem A; 2007 Jan; 111(3):515-20. PubMed ID: 17228900
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. CCSD(T) study of the far-infrared spectrum of ethyl methyl ether.
    Senent ML; Ruiz R; Villa M; Domínguez-Gómez R
    J Chem Phys; 2009 Feb; 130(6):064101. PubMed ID: 19222261
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A theoretical anharmonic study of the infrared absorption spectra of FHF-, FDF-, OHF-, and ODF- anions.
    Elghobashi N; González L
    J Chem Phys; 2006 May; 124(17):174308. PubMed ID: 16689572
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Five-dimensional ab initio potential energy surface and predicted infrared spectra of H2-CO2 van der Waals complexes.
    Ran H; Zhou Y; Xie D
    J Chem Phys; 2007 May; 126(20):204304. PubMed ID: 17552759
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Relative vibrational overtone intensity of cis-cis and trans-perp peroxynitrous acid.
    Matthews J; Sinha A; Francisco JS
    J Chem Phys; 2004 Jun; 120(22):10543-53. PubMed ID: 15268081
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A variationally computed T = 300 K line list for NH3.
    Yurchenko SN; Barber RJ; Yachmenev A; Thiel W; Jensen P; Tennyson J
    J Phys Chem A; 2009 Oct; 113(43):11845-55. PubMed ID: 19634882
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Two-dimensional infrared spectroscopy of dimanganese decacarbonyl and its photoproducts: an ab initio study.
    Baiz CR; McRobbie PL; Preketes NK; Kubarych KJ; Geva E
    J Phys Chem A; 2009 Sep; 113(35):9617-23. PubMed ID: 19670842
    [TBL] [Abstract][Full Text] [Related]  

  • 19. First-principles calculation of geometry and anharmonic vibrational spectra of thioformamide and thioformamide-d2.
    Kowal AT
    J Chem Phys; 2006 Jan; 124(1):14304. PubMed ID: 16409033
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 13.