BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

170 related articles for article (PubMed ID: 24486787)

  • 1. Molecular structure, Mulliken charge, frontier molecular orbital and first hyperpolarizability analysis on 2-nitroaniline and 4-methoxy-2-nitroaniline using density functional theory.
    Azhagiri S; Jayakumar S; Gunasekaran S; Srinivasan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():199-202. PubMed ID: 24486787
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4'-Nitrobiphenyl by density functional theory.
    Govindarasu K; Kavitha E
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():130-41. PubMed ID: 24299985
    [TBL] [Abstract][Full Text] [Related]  

  • 3. FT-Raman, FT-IR spectral and DFT studies on (E)-1-4-nitrobenzylidenethiocarbonohydrazide.
    Thanikachalam V; Periyanayagasamy V; Jayabharathi J; Manikandan G; Saleem H; Subashchandrabose S; Erdogdu Y
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 87():86-95. PubMed ID: 22169031
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations.
    Arivazhagan M; Subhasini VP; Austine A
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():205-13. PubMed ID: 22074887
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations.
    Khalid M; Hussain R; Hussain A; Ali B; Jaleel F; Imran M; Assiri MA; Khan MU; Ahmed S; Abid S; Haq S; Saleem K; Majeed S; Tariq CJ
    Molecules; 2019 Jun; 24(11):. PubMed ID: 31159484
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline.
    Pathak SK; Srivastava R; Sachan AK; Prasad O; Sinha L; Asiri AM; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():283-95. PubMed ID: 25078461
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Spectroscopic analysis and charge transfer interaction studies of 4-benzyloxy-2-nitroaniline insecticide: a density functional theoretical approach.
    Arul Dhas D; Hubert Joe I; Roy SD; Balachandran S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():583-96. PubMed ID: 25216343
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method.
    Shahidha R; Muthu S; Elamurugu Porchelvi E; Govindarajan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():142-51. PubMed ID: 24858355
    [TBL] [Abstract][Full Text] [Related]  

  • 10. DFT approach for FT-IR spectra and HOMO-LUMO energy gap for N-(p-dimethylaminobenzylidene)-p-nitroaniline (DBN).
    El-Mansy MA; El-Nahass MM; Khusayfan NM; El-Menyawy EM
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jul; 111():217-22. PubMed ID: 23644446
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approach.
    Sebastian S; Sylvestre S; Sundaraganesan N; Amalanathan M; Ayyapan S; Oudayakumar K; Karthikeyan B
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():167-78. PubMed ID: 23416921
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Second-order nonlinear optical properties of dithienophenazine and TTF derivatives: A butterfly effect of dimalononitrile substitutions.
    Muhammad S
    J Mol Graph Model; 2015 Jun; 59():14-20. PubMed ID: 25863481
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
    Rajamani T; Muthu S; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():186-96. PubMed ID: 23474478
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Experimental, quantum chemical and NBO/NLMO investigations of pantoprazole.
    Rajesh P; Gunasekaran S; Gnanasambandan T; Seshadri S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():247-55. PubMed ID: 25315871
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations.
    Arivazhagan M; Jeyavijayan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jul; 79(2):376-83. PubMed ID: 21466973
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Spectroscopic analysis of 3-Bromodiphenylamine with experimental techniques and quantum chemical calculations.
    Sudharsan A; Seshadri S; Gnanasambandan T; Saravanan RR
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct; 131():432-45. PubMed ID: 24835947
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Theoretical and experimental studies of vibrational spectra and thermal analysis of 2-nitroaniline and its cation.
    Azhagiri S; Ramkumaar GR; Jayakumar S; Kumaresan S; Arunbalaji R; Gunasekaran S; Srinivasan S
    J Mol Model; 2010 Jan; 16(1):87-94. PubMed ID: 19504134
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Synthesis, structural, spectroscopic studies, NBO analysis, NLO and HOMO-LUMO of 4-methyl-N-(3-nitrophenyl)benzene sulfonamide with experimental and theoretical approaches.
    Sarojini K; Krishnan H; Kanakam CC; Muthu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():159-70. PubMed ID: 23466326
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile.
    Demircioğlu Z; Kaştaş ÇA; Büyükgüngör O
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():539-48. PubMed ID: 25579656
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.