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 *

118 related articles for article (PubMed ID: 35378874)

  • 1. A DFT study of vibrational spectra of 5-chlorouracil with molecular structure, HOMO-LUMO, MEPs/ESPs and thermodynamic properties.
    Singh JS; Khan MS; Uddin S
    Polym Bull (Berl); 2023; 80(3):3055-3083. PubMed ID: 35378874
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structural and vibrational study of a neurotransmitter molecule: Dopamine [4-(2-aminoethyl) benzene-1,2-diol].
    Jha O; Yadav TK; Yadav RA
    Spectrochim Acta A Mol Biomol Spectrosc; 2018 Jan; 189():473-484. PubMed ID: 28846977
    [TBL] [Abstract][Full Text] [Related]  

  • 3. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine).
    Singh JS
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():625-40. PubMed ID: 25244296
    [TBL] [Abstract][Full Text] [Related]  

  • 4. FT-IR and FT-Raman spectra of 6-chlorouracil: molecular structure, tautomerism and solid state simulation. A comparison between 5-chlorouracil and 6-chlorouracil.
    Ortiz S; Alvarez-Ros MC; Palafox MA; Rastogi VK; Balachandran V; Rathor SK
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():653-68. PubMed ID: 24856263
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibrational (FT-IR and FT-Raman) spectra and quantum chemical studies on the molecular orbital calculations, chemical reactivity and thermodynamic parameters of 2-chloro-5-(trifluoromethyl) aniline.
    Karthick T; Balachandran V; Perumal S; Nataraj A
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():72-81. PubMed ID: 23416911
    [TBL] [Abstract][Full Text] [Related]  

  • 6. DFT analysis on the molecular structure, vibrational and electronic spectra of 2-(cyclohexylamino)ethanesulfonic acid.
    Renuga Devi TS; Sharmi kumar J; Ramkumaar GR
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():761-77. PubMed ID: 25262144
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Experimental Raman and IR spectral and theoretical studies of vibrational spectrum and molecular structure of Pantothenic acid (vitamin B5).
    Srivastava M; Singh NP; Yadav RA
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug; 129():131-42. PubMed ID: 24727172
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde.
    Prasad MV; Udaya Sri N; Veeraiah V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep; 148():163-74. PubMed ID: 25879986
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular structure, vibrational spectra, AIM, HOMO-LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree-Fock and density functional theory.
    Issaoui N; Ghalla H; Muthu S; Flakus HT; Oujia B
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt C():1227-42. PubMed ID: 25456664
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.
    Ramalingam S; Karabacak M; Periandy S; Puviarasan N; Tanuja D
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():207-20. PubMed ID: 22683556
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Experimental and theoretical studies of vibrational spectrum and molecular structure and related properties of pyridoxine (vitamin B6).
    Srivastava M; Rani P; Singh NP; Yadav RA
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():274-86. PubMed ID: 24184922
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.
    Karabacak M; Calisir Z; Kurt M; Kose E; Atac A
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 153():754-70. PubMed ID: 26483317
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Conformational stability, vibrational spectra, molecular structure, NBO and HOMO-LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations.
    Arivazhagan M; Jeyavijayan S; Geethapriya J
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():14-25. PubMed ID: 23274252
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Quantum chemical vibrational study, molecular property, FTIR, FT-Raman spectra, NBO, HOMO-LUMO energies and thermodynamic properties of 1-methyl-2-phenyl benzimidazole.
    Karnan M; Balachandran V; Murugan M; Murali MK
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():143-51. PubMed ID: 24785089
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular structure, vibrational spectral assignments, HOMO-LUMO, MESP, Mulliken analysis and thermodynamic properties of 2,6-xylenol and 2,5-dimethyl cyclohexanol based on DFT calculation.
    Arivazhagan M; Senthil kumar J
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():490-502. PubMed ID: 25240827
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparative thermodynamic properties, vibrational spectral studies, NBO and HOMO-LUMO analyses of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine based on density functional theory.
    Selvarani C; Balachandran V; Vishwanathan K
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():110-20. PubMed ID: 24858352
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular structure and vibrational spectroscopic studies on 2-furanacetic acid monomer and dimer.
    Ghalla H; Govindarajan M; Flakus HT; Issaoui N; Yaghmour SJ; Oujia B
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():579-93. PubMed ID: 25448958
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol.
    Moorthi PP; Gunasekaran S; Swaminathan S; Ramkumaar GR
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():412-22. PubMed ID: 25233034
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab-initio and DFT calculations on molecular structure, NBO, HOMO-LUMO study and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde.
    Rocha M; Di Santo A; Arias JM; Gil DM; Ben Altabef A
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():635-43. PubMed ID: 25448963
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.