Zobrazeno 1 - 10
of 107
pro vyhledávání: '"Hema Tresa Varghese"'
Autor:
Tomy Joseph, Hema Tresa Varghese, C. Yohannan Panicker, K. Viswanathan, Martin Dolezal, Christian Van Alsenoy
Publikováno v:
Arabian Journal of Chemistry, Vol 10, Iss S2, Pp S2281-S2294 (2017)
The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide have been investigated experimentally and theoretically using Gaussian09 software package. Poten
Externí odkaz:
https://doaj.org/article/d1315bb7c780494ab305b2e54d704b98
Autor:
Koushik Viswanathan, Tomy Joseph, Martin Dolezal, C. Yohannan Panicker, Christian Van Alsenoy, Hema Tresa Varghese
Publikováno v:
Arabian Journal of Chemistry, Vol 10, Iss S2, Pp S2281-S2294 (2017)
Arabian Journal of Chemistry
Arabian Journal of Chemistry
The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide have been investigated experimentally and theoretically using Gaussian09 software package. Poten
Autor:
C. Yohannan Panicker, C. Van Alsenoy, K.B. Benzon, Kiran Pradhan, Hema Tresa Varghese, Stevan Armaković, Sanja J. Armaković, Ashis Kumar Nanda, Y. Sheena Mary
Publikováno v:
Journal of Molecular Structure. 1134:330-344
FT-IR and FT-Raman spectrum of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide were recorded and theoretical study has been made using Gaussian09 software package. DFT/B3LYP calculations have been done using 6-311++G (d, p) (5D, 7F) basis
Autor:
C. Yohannan Panicker, R. Renjith, Hema Tresa Varghese, Abdulaziz A. Al-Saadi, Y. Sheena Mary, Thies Thiemann, Anas Shereef
Publikováno v:
Journal of Physics and Chemistry of Solids. 87:110-121
FT-IR and FT-Raman spectra of 1-hydroxy-4,5,8-tris(4-methoxyphenyl)anthraquinone were recorded and analyzed. The vibrational wavenumbers were computed using DFT quantum chemical calculations. The data obtained from wavenumber calculations were used t
Autor:
C. Yohannan Panicker, C. Van Alsenoy, Badiadka Narayana, Santosh K. Srivastava, Abdulaziz A. Al-Saadi, Javeed Ahamad War, Hema Tresa Varghese, P. S. Manjula, B. K. Sarojini
Publikováno v:
Spectrochimica acta: part A: molecular and biomolecular spectroscopy
FT-IR spectrum of 3-Methyl-4{(E)-[4-(methylsulfanyl)-benzylidenelamino}1H-1,2,4-triazole-5(4H)-thi one was recorded and analysed. The vibrational wavenumbers were computed and at HF and DFT levels of theory. The data obtained from wavenumber calculat
Autor:
Hema Tresa Varghese, Josef Jampilek, Christian Van Alsenoy, Javeed Ahmad War, Santosh K. Srivastava, Rajeev T. Ulahannan, C. Yohannan Panicker, Robert Musiol
Publikováno v:
Spectrochimica acta: part A: molecular and biomolecular spectroscopy
The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 2-[(E)-2-(2-bromophenyl)ethenyl]quinoline-6-carboxylic acid have been investigated experimentally and theoretically using Gaussian09 software package
Autor:
Hoong-Kun Fun, Badiadka Narayana, B. K. Sarojini, C. Van Alsenoy, Santosh K. Srivastava, Hema Tresa Varghese, Prakash S. Nayak, Javeed Ahamad War, C. Yohannan Panicker
Publikováno v:
Spectrochimica acta: part A: molecular and biomolecular spectroscopy
FT-IR spectrum of (2E)-3-(3-nitrophenyl)-1-[4-piperidin-1-yl]prop-2-en-1-one was recorded and analyzed. The vibrational wavenumbers were computed using HF and DFT quantum chemical calculations. The data obtained from wavenumber calculations are used
Autor:
Christian Van Alsenoy, Abdulaziz A. Al-Saadi, C. Yohannan Panicker, Y. Sheena Mary, Markéta Procházková, Hema Tresa Varghese, Dana Němečková, Pavel Pazdera
Publikováno v:
Journal of molecular structure
We report the preparation and results of vibrational spectral analysis, which were obtained using both FT-IR and FT-Raman spectroscopy, for three 1-alkyl-1-methylpiperazine-1,4-diium salts (AMPSs), where alkyl is benzyl 4a, n-octadecyl 4b, and methyl
Autor:
C. Yohannan Panicker, Hema Tresa Varghese, Abdulaziz A. Al-Saadi, Jadu Samuel, Christian Van Alsenoy, J.B. Bhagyasree, Martin Dolezal
Publikováno v:
Spectrochimica acta: part A: molecular and biomolecular spectroscopy
The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 5-tert-Butyl-6-chloro-N-[(4-(trifluoromethyl)phenyl]Pyrazine-2-carboxamide have been investigated experimentally and theoretically using Gaussian09 s
Autor:
Hema Tresa Varghese, Rajeev T. Ulahannan, Robert Musiol, Josef Jampilek, P.L. Anto, C. Yohannan Panicker, C. Van Alsenoy
Publikováno v:
Spectrochimica acta: part A: molecular and biomolecular spectroscopy
Quinoline derivatives have good nonlinear optical properties and have been extensively studied due to their great potential application in the field of organic light emitting diodes. Quantum chemical calculations of the equilibrium geometry, harmonic