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 *

258 related articles for article (PubMed ID: 26638891)

  • 1. Molecular structure, spectroscopic assignments and other quantum chemical calculations of anticancer drugs - A review.
    Ghasemi AS; Deilam M; Sharifi-Rad J; Ashrafi F; Hoseini-Alfatemi SM
    Cell Mol Biol (Noisy-le-grand); 2015 Nov; 61(7):110-8. PubMed ID: 26638891
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Comparative thermodynamic properties, vibrational spectral studies, NBO and HOMO-LUMO analyses of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine based on density functional theory.
    Selvarani C; Balachandran V; Vishwanathan K
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():110-20. PubMed ID: 24858352
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Density functional theory (DFT) and natural bond orbital (NBO) study of vibrational spectra and intramolecular hydrogen bond interaction of L-ornithine-L-aspartate.
    Li L; Wu C; Wang Z; Zhao L; Li Z; Sun C; Sun T
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():338-46. PubMed ID: 25448937
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Conformational stability, vibrational spectra, HOMO-LUMO and NBO analysis of 1,3,4-thiadiazolidine-2,5-dithione with experimental (FT-IR and FT-Raman) techniques and scaled quantum mechanical calculations.
    Xavier RJ; Dinesh P
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():171-81. PubMed ID: 23727670
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Spectroscopic investigation, natural bond orbital analysis, HOMO-LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations.
    Balachandran V; Santhi G; Karpagam V; Revathi B; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():451-63. PubMed ID: 25448946
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Quantum chemical studies, natural bond orbital analysis and thermodynamic function of 2,5-dichlorophenylisocyanate.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():351-64. PubMed ID: 24200649
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
    Prabavathi N; Senthil Nayaki N; Venkatram Reddy B
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():1134-48. PubMed ID: 25459510
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
    Rajalakshmi K; Gunasekaran S; Kumaresan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():466-79. PubMed ID: 24813275
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations.
    Swarnalatha N; Gunasekaran S; Muthu S; Nagarajan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():721-9. PubMed ID: 25262140
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Experimental and theoretical spectroscopic studies of anticancer drug rosmarinic acid using HF and density functional theory.
    Mariappan G; Sundaraganesan N; Manoharan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():340-51. PubMed ID: 22789527
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Experimental and computational study on molecular structure and vibrational analysis of 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol by normal coordinate treatment.
    Santhana Krishnan V; SampathKrishnan S; Muthu S; Renuga S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():191-201. PubMed ID: 23832226
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Crystallographic, experimental (FT-IR and FT-RS) and theoretical (DFT) investigation, UV-Vis, MEP, HOMO-LUMO and NBO/NLMO of (E)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide.
    Saravanan RR; Seshadri S; Gunasekaran S; Mendoza-Meroño R; Garcia-Granda S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():268-75. PubMed ID: 24252291
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Conformational stability, molecular orbital studies (chemical hardness and potential), vibrational investigation and theoretical NBO analysis of 4-tert-butyl-3-methoxy-2,6-dinitrotoluene.
    Saravanan S; Balachandran V; Vishwanathan K
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():451-69. PubMed ID: 24508884
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of 3-hydroxy-6-methyl-2-nitropyridine.
    Karnan M; Balachandran V; Murugan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():51-62. PubMed ID: 22658996
    [TBL] [Abstract][Full Text] [Related]  

  • 20. DFT studies on vibrational spectra, HOMO-LUMO, NBO and thermodynamic function analysis of cyanuric fluoride.
    Prabhaharan M; Prabakaran AR; Gunasekaran S; Srinivasan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():494-503. PubMed ID: 25448950
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.