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 *

173 related articles for article (PubMed ID: 31622823)

  • 1. Molecular structure interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV-Vis, HOMO-LUMO and NLO) properties and biological evaluation of (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one: Experimental and computational modeling approach.
    Thamarai A; Vadamalar R; Raja M; Muthu S; Narayana B; Ramesh P; Muhamed RR; Sevvanthi S; Aayisha S
    Spectrochim Acta A Mol Biomol Spectrosc; 2020 Feb; 226():117609. PubMed ID: 31622823
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
    Kumar A; Deval V; Tandon P; Gupta A; Deepak D'silva E
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():41-53. PubMed ID: 24762572
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
    Muthu S; Ramachandran G
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():394-403. PubMed ID: 24280302
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Conformational stability, spectroscopic (FT-IR, FT-Raman and UV-Vis) analysis, NLO, NBO, FMO and Fukui function analysis of 4-hexylacetophenone by density functional theory.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():406-23. PubMed ID: 25528503
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibrational analysis using FT-IR, FT-Raman spectra and HF-DFT methods and NBO, NLO, NMR, HOMO-LUMO, UV and electronic transitions studies on 2,2,4-trimethyl pentane.
    Suvitha A; Periandy S; Govindarajan M; Gayathri P
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():900-12. PubMed ID: 25459692
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone.
    Arockia doss M; Savithiri S; Rajarajan G; Thanikachalam V; Saleem H
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep; 148():189-202. PubMed ID: 25879989
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():604-20. PubMed ID: 24813291
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Vibrational spectroscopic investigations of 4,4-dimethyl-2-oxazoline: A density functional theory approach.
    John Xavier R; Prabaharan A
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt C():1530-42. PubMed ID: 25459715
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular structure, spectroscopic characterization, HOMO and LUMO analysis of 3,3'-diaminobenzidine with DFT quantum chemical calculations.
    Karabacak M; Bilgili S; Atac A
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Nov; 150():83-93. PubMed ID: 26026306
    [TBL] [Abstract][Full Text] [Related]  

  • 10. FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations.
    Sinha L; Prasad O; Chand S; Sachan AK; Pathak SK; Shukla VK; Karabacak M; Asiri AM
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():165-77. PubMed ID: 24934975
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Synthesis, electronic structure investigation of 3-pentyl-2,6-di(furan-2-yl)piperidin-4-one by FT-IR, FT-Raman and UV-Visible spectral studies and ab initio/DFT calculations.
    Arockia Doss M; Savithiri S; Rajarajan G; Thanikachalam V; Anbuselvan C
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Dec; 151():773-84. PubMed ID: 26172464
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Vibrational spectroscopic (FT-IR and FT-Raman) studies, HOMO-LUMO, NBO analysis and MEP of 6-methyl-1-({[(2E)-2-methyl-3-phenyl-prop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetra-hydroquinazoline-2,4-dione, a potential chemotherapeutic agent, using density functional methods.
    Sebastian SS; Al-Tamimi AM; El-Brollosy NR; El-Emam AA; Yohannan Panicker C; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 134():316-25. PubMed ID: 25022504
    [TBL] [Abstract][Full Text] [Related]  

  • 13. NBO, HOMO-LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF-DFT computational methods.
    Suvitha A; Periandy S; Gayathri P
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():357-69. PubMed ID: 25514662
    [TBL] [Abstract][Full Text] [Related]  

  • 14. PES, molecular structure, spectroscopic (FT-IR, FT-Raman), electronic (UV-Vis, HOMO-LUMO), quantum chemical and biological (docking) studies on a potent membrane permeable inhibitor: dibenzoxepine derivative.
    Sevvanthi S; Muthu S; Raja M; Aayisha S; Janani S
    Heliyon; 2020 Aug; 6(8):e04724. PubMed ID: 32885075
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.
    Govindarajan M; Karabacak M; Periandy S; Tanuja D
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():231-45. PubMed ID: 22765942
    [TBL] [Abstract][Full Text] [Related]  

  • 16. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
    Muthu S; Elamurugu Porchelvi E
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular structure (monomeric and dimeric structure) and HOMO-LUMO analysis of 2-aminonicotinic acid: a comparison of calculated spectroscopic properties with FT-IR and UV-vis.
    Karabacak M; Kose E; Atac A
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():83-96. PubMed ID: 22366618
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. HOMO-LUMO, UV, NLO, NMR and vibrational analysis of 3-methyl-1-phenylpyrazole using FT-IR, FT-RAMAN FT-NMR spectra and HF-DFT computational methods.
    Carthigayan K; Xavier S; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 May; 142():350-63. PubMed ID: 25710893
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.
    Ramalingam S; Periandy S; Karabacak M; Karthikeyan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():337-51. PubMed ID: 23274261
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.