Molecular structure, vibrational spectra and ¹³C and ¹H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods.

Autor: Shailajha, S.¹ sshailajha@yahoo.com, Rajesh Kannan, U.¹, Sheik Abdul Kadhar, S. P.¹, Isac Paulraj, E.²

Publikováno v: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Dec2014, Vol. 133, p720-729. 10p.

Molecular structure, vibrational spectra and (13)C and (1)H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods.

Autor: Shailajha S; Department of Physics, Manonmaniam Sundaranar University, Tirunelveli 627012, Tamil Nadu, India. Electronic address: sshailajha@yahoo.com., Rajesh Kannan U; Department of Physics, Manonmaniam Sundaranar University, Tirunelveli 627012, Tamil Nadu, India., Sheik Abdul Kadhar SP; Department of Physics, Manonmaniam Sundaranar University, Tirunelveli 627012, Tamil Nadu, India., Isac Paulraj E; Department of Physics, Pallavan College of Engineering, Kancheepuram 631502, Tamil Nadu, India.

Publikováno v: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2014 Dec 10; Vol. 133, pp. 720-9. Date of Electronic Publication: 2014 Jun 14.