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 *

113 related articles for article (PubMed ID: 21619333)

  • 1. Environmental Analysis by ab Initio Quantum Mechanical Computation and Gas Chromatography/Fourier Transform Infrared Spectrometry.
    Gurka DF; Titus R; Robins K; Wong A; Wurrey CJ; Durig JR; Shen Z; Burkhard LP
    Anal Chem; 1996 Dec; 68(23):4221-7. PubMed ID: 21619333
    [TBL] [Abstract][Full Text] [Related]  

  • 2. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.
    Nagabalasubramanian PB; Periandy S; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1280-7. PubMed ID: 19875327
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by density functional theory and ab initio Hartree-Fock calculations.
    Li XH; Tang ZX; Zhang XZ
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):168-73. PubMed ID: 19553157
    [TBL] [Abstract][Full Text] [Related]  

  • 5. FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N'-dimethylamino pyridine.
    Sundaraganesan N; Kalaichelvan S; Meganathan C; Joshua BD; Cornard J
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(3):898-906. PubMed ID: 18358770
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Forensic Drug Identification, Confirmation, and Quantification Using Fully Integrated Gas Chromatography with Fourier Transform Infrared and Mass Spectrometric Detection (GC-FT-IR-MS).
    Lanzarotta A; Lorenz L; Voelker S; Falconer TM; Batson JS
    Appl Spectrosc; 2018 May; 72(5):750-756. PubMed ID: 29154671
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride.
    Varghese HT; Panicker CY; Philip D; Pazdera P
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):1055-9. PubMed ID: 17088098
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-bromo-2'-deoxyuridine.
    Cırak C; Sert Y; Ucun F
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():406-14. PubMed ID: 22459894
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.
    Sundaraganesan N; Karpagam J; Sebastian S; Cornard JP
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):11-9. PubMed ID: 19251476
    [TBL] [Abstract][Full Text] [Related]  

  • 10. FT-IR, FT-Raman, ab initio and DFT studies, HOMO-LUMO and NBO analysis of 3-amino-5-mercapto-1,2,4-triazole.
    Xavier RJ; Gobinath E
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():242-51. PubMed ID: 22070998
    [TBL] [Abstract][Full Text] [Related]  

  • 11. FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations.
    Ramalingam S; Anbusrinivasan P; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):826-34. PubMed ID: 21216662
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.
    Mahadevan D; Periandy S; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):575-81. PubMed ID: 21185772
    [TBL] [Abstract][Full Text] [Related]  

  • 13. FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.
    Arivazhagan M; Jeyavijayan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun; 79(1):161-8. PubMed ID: 21450515
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Vibrational spectra and assignments of 2-amino-5-iodopyridine by ab initio Hartree-Fock and density functional methods.
    Sundaraganesan N; Meganathan C; Anand B; Joshua BD; Lapouge C
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):830-6. PubMed ID: 17018261
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene.
    Udayakumar V; Periandy S; Karabacak M; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):575-86. PubMed ID: 21955946
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Characterization of synthetic polymers and speck impurities in cellulose pulp: a comparison between pyrolysis-gas chromatography-mass spectrometry and Fourier transform infrared spectroscopy.
    Silvério FO; Barbosa LC; Maltha CR; Piló-Veloso D
    Anal Chim Acta; 2009 Jun; 643(1-2):108-16. PubMed ID: 19446071
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Differentiation of side chain isomers of ring-substituted amphetamines using gas chromatography/infrared/mass spectrometry (GC/IR/MS).
    Soine WH; Duncan W; Lambert R; Middleberg R; Finley H; O'Neil DJ
    J Forensic Sci; 1992 Mar; 37(2):513-27. PubMed ID: 1500896
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 2-(4-fluorobenzylideneamino)-3-mercaptopropanoic acid.
    Ye Y; Ruan M; Song Y; Li YY; Xie W
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Sep; 68(1):85-93. PubMed ID: 17267274
    [TBL] [Abstract][Full Text] [Related]  

  • 20. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
    Karabacak M; Karagöz D; Kurt M
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun; 72(5):1076-83. PubMed ID: 19213598
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.