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 *

117 related articles for article (PubMed ID: 38682874)

  • 41. Toward Fully Unsupervised Anharmonic Computations Complementing Experiment for Robust and Reliable Assignment and Interpretation of IR and VCD Spectra from Mid-IR to NIR: The Case of 2,3-Butanediol and
    Paoloni L; Mazzeo G; Longhi G; Abbate S; Fusè M; Bloino J; Barone V
    J Phys Chem A; 2020 Feb; 124(5):1011-1024. PubMed ID: 31922423
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Anharmonic zero point vibrational energies: tipping the scales in accurate thermochemistry calculations?
    Pfeiffer F; Rauhut G; Feller D; Peterson KA
    J Chem Phys; 2013 Jan; 138(4):044311. PubMed ID: 23387588
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Conformers of Gaseous Cysteine.
    Wilke JJ; Lind MC; Schaefer HF; Császár AG; Allen WD
    J Chem Theory Comput; 2009 Jun; 5(6):1511-23. PubMed ID: 26609845
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Structural and Energetic Properties of Amino Acids and Peptides Benchmarked by Accurate Theoretical and Experimental Data.
    Wang P; Shu C; Ye H; Biczysko M
    J Phys Chem A; 2021 Nov; 125(45):9826-9837. PubMed ID: 34752094
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Influence of Non-fundamental Modes on Mid-infrared Spectra: Anharmonic DFT Study of Aliphatic Ethers.
    Beć KB; Grabska J; Ozaki Y; Hawranek JP; Huck CW
    J Phys Chem A; 2017 Feb; 121(7):1412-1424. PubMed ID: 28139932
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer.
    Antony J; von Helden G; Meijer G; Schmidt B
    J Chem Phys; 2005 Jul; 123(1):014305. PubMed ID: 16035833
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Molecular structure, normal coordinate analysis, harmonic vibrational frequencies, NBO, HOMO-LUMO analysis and detonation properties of (S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods.
    Renuga S; Muthu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():702-15. PubMed ID: 24096066
    [TBL] [Abstract][Full Text] [Related]  

  • 48. FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene.
    Babu PC; Sundaraganesan N; Dereli Ö; Türkkan E
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):562-9. PubMed ID: 21501967
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Molecular structure and vibrational spectroscopic studies of prothionamide by density functional theory.
    Yilmaz A; Bolukbasi O
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 152():262-71. PubMed ID: 26219021
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane.
    Barone V; Biczysko M; Bloino J; Puzzarini C
    J Chem Phys; 2014 Jul; 141(3):034107. PubMed ID: 25053301
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Conformational stability from variable temperature infrared spectra of krypton solutions, ab initio calculations, vibrational assignment, and r0 structural parameters of 1,3-difluoropropane.
    Durig JR; Zheng C; Williams MJ; Stidham HD; Guirgis GA
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun; 60(7):1659-76. PubMed ID: 15147712
    [TBL] [Abstract][Full Text] [Related]  

  • 52. High energy conformers of M(+)(APE)(H2O)(0-1)Ar(0-1) clusters revealed by combined IR-PD and DFT-MD anharmonic vibrational spectroscopy.
    Brites V; Nicely AL; Sieffert N; Gaigeot MP; Lisy JM
    Phys Chem Chem Phys; 2014 Jul; 16(26):13086-95. PubMed ID: 24852822
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Benchmarking DFT-D Dispersion Corrections for Anharmonic Vibrational Frequencies and Harmonic Scaling Factors.
    Hanson-Heine MWD
    J Phys Chem A; 2019 Nov; 123(45):9800-9808. PubMed ID: 31633366
    [TBL] [Abstract][Full Text] [Related]  

  • 54. [Infrared, Raman and density functional study of vibration spectra of 2, 3-dichloropyrazine].
    Chen HJ; Guo L; Fang W; Jia GZ
    Guang Pu Xue Yu Guang Pu Fen Xi; 2014 Nov; 34(11):2994-8. PubMed ID: 25752045
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Molecular structure and spectroscopic signatures of acrolein: theory meets experiment.
    Puzzarini C; Penocchio E; Biczysko M; Barone V
    J Phys Chem A; 2014 Aug; 118(33):6648-56. PubMed ID: 24842714
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Spectroscopic and theoretical investigations of vibrational frequencies in binary unsaturated transition-metal carbonyl cations, neutrals, and anions.
    Zhou M; Andrews L; Bauschlicher CW
    Chem Rev; 2001 Jul; 101(7):1931-61. PubMed ID: 11710236
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculations.
    Kreienborg NM; Yang Q; Pollok CH; Bloino J; Merten C
    Phys Chem Chem Phys; 2023 Jan; 25(4):3343-3353. PubMed ID: 36633064
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Scaling Factors and Uncertainties for ab Initio Anharmonic Vibrational Frequencies.
    Johnson RD; Irikura KK; Kacker RN; Kessel R
    J Chem Theory Comput; 2010 Sep; 6(9):2822-8. PubMed ID: 26616083
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Scaling-up VPT2: A feasible route to include anharmonic correction on large molecules.
    Fusè M; Mazzeo G; Longhi G; Abbate S; Yang Q; Bloino J
    Spectrochim Acta A Mol Biomol Spectrosc; 2024 Apr; 311():123969. PubMed ID: 38330757
    [TBL] [Abstract][Full Text] [Related]  

  • 60. 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]  

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