Molecular structure, vibrational spectra and first-order hyperpolarisability analysis of 2-amino-6-nitrobenzothiazole by DFT method

By Sebastian S.   Sylvestre S.   Oudayakumar K.   Jayavarthanan T.   Karthikeyan B.   Sundaraganesan N.  

Molecular Simulation, Vol. 39, Iss. 13, 2013-11 ,pp. : 1052-1064

Taylor & Francis Ltd

Access to resources Recommend Favorite

FT-IR, FT-Raman spectra and DFT vibrational analysis of 2-aminobiphenyl

By Subramanian M. K.   Anbarasan P. M.   Ilangovan V.   Sundaraganesan N.  

Molecular Simulation, Vol. 34, Iss. 3, 2008-03 ,pp. : 277-287

Taylor & Francis Ltd

Access to resources Recommend Favorite

Study of vibrational spectra of polyaniline doped with sulfuric acid and phosphoric acid

By Arora Manju   Luthra Vandna   Singh Ramadhar   Gupta S.  

Applied Biochemistry and Biotechnology, Vol. 96, Iss. 1-3, 2001-10 ,pp. : 173-181

Humana Press, Inc

Access to resources Recommend Favorite

Styrene and ethylbenzene absorption in ionic liquids: comparing DFT affinity calculations with experimental data

By Ervasti H. K.   Kroon M. C.   Vlugt T. J.H.   Peters C. J.  

Molecular Simulation, Vol. 39, Iss. 2, 2013-02 ,pp. : 94-108

Taylor & Francis Ltd

Access to resources Recommend Favorite

Vibrational Circular Dichroism Spectra of Proteins in the Amide III Region: Measurement and Correlation of Bandshape to Secondary Structure

By Baello B.I.   Pancoska P.   Keiderling T.A.  

Analytical Biochemistry, Vol. 250, Iss. 2, 1997-08 ,pp. : 212-221

Elsevier

Access to resources Recommend Favorite