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Your search keyword '"Hema Tresa Varghese"' showing total 7 results
Start Over Author "Hema Tresa Varghese" Journal material science research india
7 results on '"Hema Tresa Varghese"'

1. Vibrational Spectroscopic and First Hyperpolarizability Study of 1-chloro-2-methyl-2-phenylpropane

Author

C. Yohannan, Panicker. Panicker, Hema Tresa Varghese, and Y. Sheena Mary

Subjects
Materials science, Computational chemistry, Hyperpolarizability, 2-phenylpropane
Abstract

FTIR and FT-Raman spectrum of 1-chloro-2-methyl-2-phenylpropane were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes. The experimental frequencies are in agreement with the calculated (B3LYP) scaled values. The predicted infrared intensities, Raman activities and first hyperpolarizability are reported.

Published
2012
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2. IR, Raman, First Hyperpolarizability and Computational Study of 1-chloroethyl Benzene

Author

Sheena Mary Y, C. Yohannan Panicker, and Hema Tresa Varghese

Subjects
chemistry.chemical_compound, symbols.namesake, Chemistry, Physics::Atomic and Molecular Clusters, symbols, Hyperpolarizability, Physics::Chemical Physics, Photochemistry, Benzene, Raman spectroscopy
Abstract

The FTIR and FT-Raman spectra of 1-chloroethylbenzene were recorded and analyzed. The harmonic vibrational wavaenumbers were calculated theoretically using Gaussian03 set of quantum chemistry codes. The calculated wavenumbers (B3LYP) agree well with the observed wavenumbers. The calculated first hyperpolarizability is reported and the title compound is an attractive object for further studies of nonlinear optics.

Published
2012
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