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 *

733 related articles for article (PubMed ID: 21840753)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations.
    Ramalingam S; Karabacak M; Periandy S; Puviarasan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug; 94():318-30. PubMed ID: 22534557
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. FTIR and FTRaman spectroscopic investigation of 2-bromo-4-methylaniline using ab initio HF and DFT calculations.
    Ramalingam S; Periandy S; Narayanan B; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jun; 76(1):84-92. PubMed ID: 20335064
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. FT-IR and FT-Raman investigation, computed vibrational intensity analysis and computed vibrational frequency analysis on m-Xylol using ab-initio HF and DFT calculations.
    Prabhu T; Periandy S; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):948-55. PubMed ID: 21550300
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.
    Arunagiri C; Arivazhagan M; Subashini A
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1747-56. PubMed ID: 21680229
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. 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]  

  • 13. 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]  

  • 14. 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]  

  • 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 spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) analysis on the structure of 2-amino pyridine.
    Ramalingam S; Periandy S; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):73-81. PubMed ID: 20627807
    [TBL] [Abstract][Full Text] [Related]  

  • 17. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT.
    Govindarajan M; Karabacak M; Udayakumar V; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Mar; 88():37-48. PubMed ID: 22197345
    [TBL] [Abstract][Full Text] [Related]  

  • 18. FT-IR and FT-Raman spectra, thermo dynamical behavior, HOMO and LUMO, UV, NLO properties, computed frequency estimation analysis and electronic structure calculations on α-bromotoluene.
    Govindarajan M; Periandy S; Carthigayen K
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():411-22. PubMed ID: 22820044
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations.
    Karabacak M; Cinar Z; Cinar M
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1511-9. PubMed ID: 21646044
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 37.