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 *

285 related articles for article (PubMed ID: 18348547)

  • 1. Prediction of vibrational frequencies of UO2(2+) at the CCSD(T) level.
    Jackson VE; Craciun R; Dixon DA; Peterson KA; de Jong WA
    J Phys Chem A; 2008 May; 112(17):4095-9. PubMed ID: 18348547
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings.
    Brauer B; Gerber RB; Kabelác M; Hobza P; Bakker JM; Abo Riziq AG; de Vries MS
    J Phys Chem A; 2005 Aug; 109(31):6974-84. PubMed ID: 16834057
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Born-Oppenheimer symmetry breaking in the C state of NO2: importance of static and dynamic correlation effects.
    Bera PP; Yamaguchi Y; Schaefer HF; Crawford TD
    J Phys Chem A; 2008 Mar; 112(12):2669-76. PubMed ID: 18311948
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments.
    Adesokan AA; Chaban GM; Dopfer O; Gerber RB
    J Phys Chem A; 2007 Aug; 111(31):7374-81. PubMed ID: 17500546
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structure, vibrational spectrum, and ring puckering barrier of cyclobutane.
    Blake TA; Xantheas SS
    J Phys Chem A; 2006 Sep; 110(35):10487-94. PubMed ID: 16942054
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them.
    Turney JM; Sari L; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2005 Mar; 122(9):094304. PubMed ID: 15836125
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and CO.
    Ruden TA; Helgaker T; Jørgensen P; Olsen J
    J Chem Phys; 2004 Sep; 121(12):5874-84. PubMed ID: 15367015
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Basis set limit CCSD(T) harmonic vibrational frequencies.
    Tew DP; Klopper W; Heckert M; Gauss J
    J Phys Chem A; 2007 Nov; 111(44):11242-8. PubMed ID: 17511434
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods.
    Levi C; Martin JM; Bar I
    J Comput Chem; 2008 Jun; 29(8):1268-76. PubMed ID: 18161681
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: density functional studies with relativistic effective core potentials.
    de Jong WA; Aprà E; Windus TL; Nichols JA; Harrison RJ; Gutowski KE; Dixon DA
    J Phys Chem A; 2005 Dec; 109(50):11568-77. PubMed ID: 16354049
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.
    Dawes R; Wagner AF; Thompson DL
    J Phys Chem A; 2009 Apr; 113(16):4709-21. PubMed ID: 19371124
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structure and heats of formation of iodine fluorides and the respective closed-shell ions from CCSD(T) electronic structure calculations and reliable prediction of the steric activity of the free-valence electron pair in ClF6-, BrF6-, and IF6-.
    Dixon DA; Grant DJ; Christe KO; Peterson KA
    Inorg Chem; 2008 Jun; 47(12):5485-94. PubMed ID: 18476690
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Intermolecular vibrations of fluorobenzene-Ar up to 130 cm(-1) in the ground electronic state.
    Gascooke JR; Alexander UN; Lawrance WD
    J Chem Phys; 2012 Aug; 137(8):084305. PubMed ID: 22938231
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory.
    Rauhut G; Knizia G; Werner HJ
    J Chem Phys; 2009 Feb; 130(5):054105. PubMed ID: 19206956
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Enthalpy of formation and anharmonic force field of diacetylene.
    Simmonett AC; Schaefer HF; Allen WD
    J Chem Phys; 2009 Jan; 130(4):044301. PubMed ID: 19191379
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Anharmonic vibrational spectroscopy calculations for proton-bound amino acid dimers.
    Adesokan AA; Gerber RB
    J Phys Chem A; 2009 Mar; 113(10):1905-12. PubMed ID: 19061325
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab initio spectroscopic characterization of the HNNO and ONHN radicals.
    Peterson KA; Francisco JS
    J Chem Phys; 2011 Feb; 134(8):084308. PubMed ID: 21361540
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Analytic energy gradients in closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J
    J Chem Phys; 2008 Nov; 129(17):174110. PubMed ID: 19045336
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Benchmark calculations on the adiabatic ionization potentials of M-NH(3) (M=Na,Al,Ga,In,Cu,Ag).
    Li S; Peterson KA; Dixon DA
    J Chem Phys; 2008 Apr; 128(15):154301. PubMed ID: 18433203
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Heats of formation of xenon fluorides and the fluxionality of XeF(6) from high level electronic structure calculations.
    Dixon DA; de Jong WA; Peterson KA; Christe KO; Schrobilgen GJ
    J Am Chem Soc; 2005 Jun; 127(24):8627-34. PubMed ID: 15954767
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.