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Journal Abstract Search
1547 related items for PubMed ID: 21190895
21. Molecular structure and vibrational spectroscopic studies of Chrysin using HF and Density Functional Theory. Sundaraganesan N, Mariappan G, Manoharan S. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 15; 87():67-76. PubMed ID: 22153594 [Abstract] [Full Text] [Related]
22. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method. Muthu S, Prabhakaran A. Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug 14; 129():184-92. PubMed ID: 24747330 [Abstract] [Full Text] [Related]
23. Molecular structure, vibrational spectra and DFT molecular orbital calculations (TD-DFT and NMR) of the antiproliferative drug Methotrexate. Ayyappan S, Sundaraganesan N, Aroulmoji V, Murano E, Sebastian S. Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):264-75. PubMed ID: 20621610 [Abstract] [Full Text] [Related]
24. 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 15; 130():604-20. PubMed ID: 24813291 [Abstract] [Full Text] [Related]
25. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method. Muthu S, Maheswari JU. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 15; 92():154-63. PubMed ID: 22446762 [Abstract] [Full Text] [Related]
35. FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene. Babu PC, Sundaraganesan N, Dereli Ö, Türkkan E. Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 15; 79(3):562-9. PubMed ID: 21501967 [Abstract] [Full Text] [Related]