BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

986 related articles for article (PubMed ID: 21813316)

  • 1. Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations.
    Ramalingam S; Jayaprakash A; Mohan S; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):79-90. PubMed ID: 21813316
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. 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]  

  • 6. 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]  

  • 7. 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]  

  • 8. Vibrational spectroscopy [FTIR and FTRaman] investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 4-chloro 2-methylaniline using HF and DFT [LSDA, B3LYP and B3PW91] calculations.
    Ramalingam S; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1149-61. PubMed ID: 21237700
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.
    Ramalingam S; Periandy S; Elanchezhian B; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):429-36. PubMed ID: 21146451
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. FT-IR, FT-Raman spectra, NBO, HOMO-LUMO and thermodynamic functions of 4-chloro-3-nitrobenzaldehyde based on ab initio HF and DFT calculations.
    Karunakaran V; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 98():229-39. PubMed ID: 22958978
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations.
    Babu PD; Periandy S; Mohan S; Ramalingam S; Jayaprakash BG
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):168-78. PubMed ID: 20943432
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. FT-IR and FT-Raman spectroscopic investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 2-nitroanisole using HF and DFT (B3LYP and B3PW91) calculations.
    Prabhu T; Periandy S; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):8-16. PubMed ID: 21963192
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.
    Govindarajan M; Karabacak M; Suvitha A; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr; 89():137-48. PubMed ID: 22261102
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
    Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations.
    Balachandran V; Murugan M; Nataraj A; Karnan M; Ilango G
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():538-49. PubMed ID: 24892532
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 50.