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 *

476 related articles for article (PubMed ID: 24291430)

  • 1. Molecular structure, tautomeric stability, protonation and deprotonation effects, vibrational, NMR and NBO analyses of 2,4-Dioxoimidazolidine-5-acetic acid (DOIAA) by quantum chemical calculations.
    Sridevi C; Velraj G
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():533-43. PubMed ID: 24291430
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Study of molecular structure, vibrational, electronic and NMR spectra of oncocalyxone A using DFT and quantum chemical calculations.
    Joshi BD; Srivastava A; Honorato SB; Tandon P; Pessoa OD; Fechine PB; Ayala AP
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():367-77. PubMed ID: 23747376
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Spectroscopic, electronic structure and natural bond orbital analysis of o-fluoronitrobenzene and p-fluoronitrobenzene: a comparative study.
    Arjunan V; Govindaraja ST; Sakiladevi S; Kalaivani M; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 84(1):196-209. PubMed ID: 21993258
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on pycolinaldehyde oxime.
    Suvitha A; Periandy S; Boomadevi S; Govindarajan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():216-24. PubMed ID: 23994677
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 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. Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride.
    Gayathri R; Arivazhagan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():311-25. PubMed ID: 22771567
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Structural, vibrational, electronic, NMR, NLO and reactivity analyses of (3Z)-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one (OPEDI) by ab initio HF and DFT calculations.
    Sridevi C; Velraj G
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():334-46. PubMed ID: 23434562
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.
    Agarwal P; Bee S; Gupta A; Tandon P; Rastogi VK; Mishra S; Rawat P
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():464-82. PubMed ID: 24287056
    [TBL] [Abstract][Full Text] [Related]  

  • 14. First principles and DFT supported investigations on vibrational spectra and electronic structure of 2-((phenylamino)methyl)isoindoline-1,3-dione--an antioxidant active Mannich base.
    Boobalan Ms; Amaladasan M; Ramalingam S; Tamilvendan D; Venkatesa Prabhu G; Bououdina M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():962-78. PubMed ID: 25282026
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structural, vibrational, electronic, NMR and reactivity analyses of 2-amino-4H-chromene-3-carbonitrile (ACC) by ab initio HF and DFT calculations.
    Sridevi C; Shanthi G; Velraj G
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr; 89():46-54. PubMed ID: 22248456
    [TBL] [Abstract][Full Text] [Related]  

  • 16. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
    Arivazhagan M; Anitha Rexalin D
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():668-76. PubMed ID: 22885079
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Anharmonic vibrational studies of L-aspartic acid using HF and DFT calculations.
    Alam MJ; Ahmad S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():992-1004. PubMed ID: 22939282
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Conformational, vibrational, NMR and DFT studies of N-methylacetanilide.
    Arjunan V; Santhanam R; Rani T; Rosi H; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():182-96. PubMed ID: 23266693
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Study of vibrational spectra, normal coordinate analysis and molecular structure of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine using density functional theory.
    Muthu S; Prabakaran A
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():420-9. PubMed ID: 24287051
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Experimental and DFT studies on the vibrational, electronic spectra and NBO analysis of thiamethoxam.
    Zhang F; Zhang Y; Ni H; Ma K; Li R
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():162-71. PubMed ID: 24051285
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 24.