BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

110 related articles for article (PubMed ID: 11162215)

  • 21. Trans-1-chloro-2-fluoroethylene: microwave spectra and anharmonic force field.
    Cazzoli G; Puzzarini C; Gambi A
    J Chem Phys; 2004 Apr; 120(14):6495-501. PubMed ID: 15267539
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Ab initio anharmonic force field and rotational analyses of infrared bands of perchloryl fluoride.
    Cané E; Fusina L; Lamarra M; Tarroni R; Burczyk K
    J Phys Chem A; 2008 Dec; 112(51):13729-36. PubMed ID: 19053568
    [TBL] [Abstract][Full Text] [Related]  

  • 23. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA; Jagielska A; Scheraga HA
    J Phys Chem B; 2006 Mar; 110(10):5025-44. PubMed ID: 16526746
    [TBL] [Abstract][Full Text] [Related]  

  • 24. The spectroscopic constants and anharmonic force field of AgSH: An ab initio study.
    Zhao Y; Wang M; Yang C; Ma X; Zhu Z
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jul; 164():89-92. PubMed ID: 27085293
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.
    Danecek P; Kapitán J; Baumruk V; Bednárová L; Kopecký V; Bour P
    J Chem Phys; 2007 Jun; 126(22):224513. PubMed ID: 17581069
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Study of 1,3-dimethylimidazolium chloride with electronic structure methods and force field approaches.
    Krekeler C; Schmidt J; Zhao YY; Qiao B; Berger R; Holm C; Delle Site L
    J Chem Phys; 2008 Nov; 129(17):174503. PubMed ID: 19045354
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching.
    Izvekov S; Parrinello M; Burnham CJ; Voth GA
    J Chem Phys; 2004 Jun; 120(23):10896-913. PubMed ID: 15268120
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Experimental Born-Oppenheimer Potential for the X1Sigma+ Ground State of HeH+: Comparison with the Ab Initio Potential.
    Coxon JA; Hajigeorgiou PG
    J Mol Spectrosc; 1999 Feb; 193(2):306-318. PubMed ID: 9920707
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Absolute intensities of CH stretching overtones in alkenes.
    Rong Z; Henry BR; Robinson TW; Kjaergaard HG
    J Phys Chem A; 2005 Feb; 109(6):1033-41. PubMed ID: 16833411
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Infrared spectrum and anharmonic force field of CH2DBr.
    Baldacci A; Stoppa P; Baldan A; Giorgianni S; Gambi A
    J Phys Chem A; 2009 May; 113(21):6083-90. PubMed ID: 19413353
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potential.
    Banks ST; Clary DC
    Phys Chem Chem Phys; 2007 Feb; 9(8):933-43. PubMed ID: 17301883
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Ab initio direct dynamics studies on the reactions of chlorine atom with CH3-nFnCH2OH (n = 1-3).
    Wang Y; Liu JY; Li ZS
    J Comput Chem; 2007 Dec; 28(16):2517-30. PubMed ID: 17786912
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Theoretical study for the reaction of CH3OCl with Cl atom.
    He HQ; Liu JY; Li ZS; Sun CC
    J Comput Chem; 2005 Apr; 26(6):642-50. PubMed ID: 15751108
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Insights into mechanistic photodissociation of acetyl chloride by ab initio calculations and molecular dynamics simulations.
    Chen SL; Fang WH
    J Phys Chem A; 2007 Sep; 111(38):9355-61. PubMed ID: 17683127
    [TBL] [Abstract][Full Text] [Related]  

  • 36. An investigation of the molecular geometry and electronic structure of nitryl chloride by a combination of rotational spectroscopy and ab initio calculations.
    Francis SG; Harvey JN; Walker NR; Legon AC
    J Chem Phys; 2008 May; 128(20):204305. PubMed ID: 18513017
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule.
    Barletta P; Shirin SV; Zobov NF; Polyansky OL; Tennyson J; Valeev EF; Császár AG
    J Chem Phys; 2006 Nov; 125(20):204307. PubMed ID: 17144700
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Anharmonic analysis of the vibrational spectrum of ketene by density functional theory using second-order perturbative approach.
    Gupta VP
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):870-6. PubMed ID: 17049910
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Infrared spectra and ab initio calculations for the Cl--(CH4)n (n = 1-10) anion clusters.
    Loh ZM; Wilson RL; Wild DA; Bieske EJ; Gordon MS
    J Phys Chem A; 2005 Sep; 109(38):8481-6. PubMed ID: 16834244
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.