BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

1171 related articles for article (PubMed ID: 21820351)

  • 1. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester.
    Nagabalasubramanian PB; Karabacak M; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):169-80. PubMed ID: 21820351
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular structure, polarizability, hyperpolarizability analysis and spectroscopic characterization of 1-(chloromethyl)-2-methylnaphthalene with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations.
    Nagabalasubramanian PB; Karabacak M; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):43-52. PubMed ID: 22024457
    [TBL] [Abstract][Full Text] [Related]  

  • 3. FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid.
    Mahalakshmi G; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():535-47. PubMed ID: 24508892
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum chemical determination of molecular geometries, interpretation of FT-IR, FT-Raman spectra and charge transfer properties for N-(2-cyanoethyl)-N-methylaniline.
    Revathi B; Nataraj A; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():1-11. PubMed ID: 24444764
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
    Chaitanya K
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():159-73. PubMed ID: 22137747
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.
    Asiri AM; Karabacak M; Kurt M; Alamry KA
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
    Karabacak M; Kose E; Atac A; Ali Cipiloglu M; Kurt M
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():892-908. PubMed ID: 22902933
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. 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]  

  • 10. Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations.
    Mahadevan D; Periandy S; Karabacak M; Ramalingam S; Puviarasan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():139-51. PubMed ID: 22074882
    [TBL] [Abstract][Full Text] [Related]  

  • 11. FT-IR and FT-Raman, UV spectroscopic investigation of 1-bromo-3-fluorobenzene using DFT (B3LYP, B3PW91 and MPW91PW91) calculations.
    Mahadevan D; Periandy S; Karabacak M; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):481-92. PubMed ID: 21840753
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations.
    Karabacak M; Bilgili S; Mavis T; Eskici M; Atac A
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():709-18. PubMed ID: 23886506
    [TBL] [Abstract][Full Text] [Related]  

  • 13. DFT, FT-Raman and FT-IR investigations of 5-methoxysalicylic acid.
    Güneş E; Parlak C
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):504-12. PubMed ID: 21840249
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on crotonaldehyde by ab initio and DFT methods.
    Jayaprakash A; Arjunan V; Jose SP; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):411-9. PubMed ID: 21930418
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene.
    Govindarajan M; Ganasan K; Periandy S; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):646-53. PubMed ID: 21530378
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods.
    Isac Paulraj E; Muthu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():38-49. PubMed ID: 23454843
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.
    Shoba D; Periandy S; Karabacak M; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):540-52. PubMed ID: 21943712
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 59.