BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

644 related articles for article (PubMed ID: 27482762)

  • 21. Study of NH stretching vibrations in small ammonia clusters by infrared spectroscopy in He droplets and ab initio calculations.
    Slipchenko MN; Sartakov BG; Vilesov AF; Xantheas SS
    J Phys Chem A; 2007 Aug; 111(31):7460-71. PubMed ID: 17530831
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Accurate Infrared (IR) Spectra for Molecules Containing the C≡N Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional.
    Vazart F; Latouche C; Cimino P; Barone V
    J Chem Theory Comput; 2015 Sep; 11(9):4364-9. PubMed ID: 26575929
    [TBL] [Abstract][Full Text] [Related]  

  • 23. A vibrational spectroscopy study on 3-aminophenylacetic acid by DFT calculations.
    Akkaya Y; Balci K; Goren Y; Akyuz S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Aug; 147():303-15. PubMed ID: 25854610
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Hydrogen-bonded acetic acid dimers: anharmonic coupling and linear infrared spectra studied with density-functional theory.
    Dreyer J
    J Chem Phys; 2005 May; 122(18):184306. PubMed ID: 15918703
    [TBL] [Abstract][Full Text] [Related]  

  • 25. FTIR, FT-Raman, UV-Visible spectra and quantum chemical calculations of allantoin molecule and its hydrogen bonded dimers.
    Alam MJ; Ahmad S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():961-78. PubMed ID: 25459622
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Spectroscopic study of CHBrF(2) up to 9500 cm(-1): Vibrational analysis, integrated band intensities, and ab initio calculations.
    Charmet AP; Stoppa P; Tasinato N; Baldan A; Giorgianni S; Gambi A
    J Chem Phys; 2010 Jul; 133(4):044310. PubMed ID: 20687653
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Toward feasible and comprehensive computational protocol for simulation of the spectroscopic properties of large molecular systems: the anharmonic infrared spectrum of uracil in the solid state by the reduced dimensionality/hybrid VPT2 approach.
    Fornaro T; Carnimeo I; Biczysko M
    J Phys Chem A; 2015 May; 119(21):5313-26. PubMed ID: 25474755
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer.
    Brandán SA; Márquez López F; Montejo M; López González JJ; Ben Altabef A
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1422-34. PubMed ID: 20223703
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.
    Kołaski M; Kumar A; Singh NJ; Kim KS
    Phys Chem Chem Phys; 2011 Jan; 13(3):991-1001. PubMed ID: 21063580
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Overtones of νC≡N Vibration as a Probe of Structure of Liquid CH
    Beć KB; Karczmit D; Kwaśniewicz M; Ozaki Y; Czarnecki MA
    J Phys Chem A; 2019 May; 123(20):4431-4442. PubMed ID: 31017787
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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]  

  • 32. Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases.
    Fornaro T; Biczysko M; Bloino J; Barone V
    Phys Chem Chem Phys; 2016 Mar; 18(12):8479-90. PubMed ID: 26940362
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Understanding the influence of low-frequency vibrations on the hydrogen bonds of acetic acid and acetamide dimers.
    Copeland C; Menon O; Majumdar D; Roszak S; Leszczynski J
    Phys Chem Chem Phys; 2017 Sep; 19(36):24866-24878. PubMed ID: 28869271
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Structural and Vibrational Properties of Amino Acids from Composite Schemes and Double-Hybrid DFT: Hydrogen Bonding in Serine as a Test Case.
    Sheng M; Silvestrini F; Biczysko M; Puzzarini C
    J Phys Chem A; 2021 Oct; 125(41):9099-9114. PubMed ID: 34623165
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
    Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
    J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Couplings Across the Vibrational Spectrum Caused by Strong Hydrogen Bonds: A Continuum 2D IR Study of the 7-Azaindole-Acetic Acid Heterodimer.
    Stingel AM; Petersen PB
    J Phys Chem B; 2016 Oct; 120(41):10768-10779. PubMed ID: 27669743
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Vibrational spectra, quantum chemical calculations and spectral assignments of 1,1-difluoro-1-silacyclohexane.
    Guirgis GA; Dukes HW; Wyatt JK; Nielsen CJ; Horn A; Aleksa V; Klaeboe P
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt A():51-7. PubMed ID: 24238936
    [TBL] [Abstract][Full Text] [Related]  

  • 38. DFT computation and experimental analysis of vibrational and electronic spectra of phenoxy acetic acid herbicides.
    Arul Dhas D; Hubert Joe I; Roy SD; Balachandran S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():89-99. PubMed ID: 23466319
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Vibrational spectra of small methylamine clusters accessed by an ab initio anharmonic approach.
    Huang QR; Li YC; Ho KL; Kuo JL
    Phys Chem Chem Phys; 2018 Mar; 20(11):7653-7660. PubMed ID: 29497724
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations.
    Howard JC; Gray JL; Hardwick AJ; Nguyen LT; Tschumper GS
    J Chem Theory Comput; 2014 Dec; 10(12):5426-35. PubMed ID: 26583226
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 33.