Anthraquinone on porous carbon nanotubes with improved supercapacitor performance
X Chen, H Wang, H Yi, X Wang, X Yan… - The Journal of Physical …, 2014 - ACS Publications
Anthraquinone (AQ) molecules were selected to decorate the lab-made hierarchical porous
carbon nanotubes (HPCNTs) to obtain electrode materials (AQ-HPCNTs) for …
carbon nanotubes (HPCNTs) to obtain electrode materials (AQ-HPCNTs) for …
Molecular structure, linear optical, second and third-order nonlinear optical properties of two non-centrosymmetric thiophene‐chalcone derivatives
Abstract Two chalcones,(2E)-1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl) prop-2-en-1-one
(3F5B2SC) and (2E)-1-(5-bromothiophen-2-yl)-3-(4-methoxyphenyl) prop-2-en-1-one …
(3F5B2SC) and (2E)-1-(5-bromothiophen-2-yl)-3-(4-methoxyphenyl) prop-2-en-1-one …
FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4, 5-dihydro-1H-pyrazol-1-yl] ethanone
YS Mary, CY Panicker, M Sapnakumari… - … Acta Part A: Molecular …, 2015 - Elsevier
The optimized molecular structure, vibrational frequencies, corresponding vibrational
assignments of 1-[3-(4-fluorophenyl)-5-phenyl-4, 5-dihydro-1H-pyrazol-1-yl] ethanone have …
assignments of 1-[3-(4-fluorophenyl)-5-phenyl-4, 5-dihydro-1H-pyrazol-1-yl] ethanone have …
Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4, 5-dihydro-1H …
YS Mary, CY Panicker, M Sapnakumari… - … Acta Part A: Molecular …, 2015 - Elsevier
The optimized molecular structure, vibrational frequencies, corresponding vibrational
assignments of 1-[5-(4-bromophenyl)-3-(4-fluorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl] …
assignments of 1-[5-(4-bromophenyl)-3-(4-fluorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl] …
Optoelectronic properties of curved carbon systems
Systematic investigation of optoelectronic properties of curved carbon systems has been
performed and the results have been compared with the representatives of flat carbon …
performed and the results have been compared with the representatives of flat carbon …
Molecular structure, FT-IR, NBO, HOMO and LUMO, MEP and first order hyperpolarizability of (2E)-1-(2, 4-Dichlorophenyl)-3-(3, 4, 5-trimethoxyphenyl) prop-2-en-1 …
Abstract (2E)-1-(2, 4-Dichlorophenyl)-3-(3, 4, 5-trimethoxyphenyl) prop-2-en-1-one is
synthesized by using 2, 4-dichloroacetophenone and 3, 4, 5-trimethoxybenzaldehyde in …
synthesized by using 2, 4-dichloroacetophenone and 3, 4, 5-trimethoxybenzaldehyde in …
Synthesis, spectroscopic characterization (FT-IR, PL), DFT calculations and antibacterial activity of silver (I) nitrate complex with nicotinaldehyde
Abstract The [Ag (3-Py-CHO) 2 NO 3] complex, where (3-Py-CHO); Nicotinaldehyde (3-
pyridinecarboxaldehyde), was synthesized and characterized by means of elemental …
pyridinecarboxaldehyde), was synthesized and characterized by means of elemental …
Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores
The Ultraviolet-visible (UV-Vis) spectra indicate that anthracenyl chalcones (ACs) have high
maximum wavelengths and good transparency windows for optical applications and are …
maximum wavelengths and good transparency windows for optical applications and are …
Theoretical investigations on the molecular structure, vibrational spectral, HOMO–LUMO and NBO analysis of 9-[3-(Dimethylamino) propyl]-2-trifluoro-methyl-9H …
YS Mary, CY Panicker, TS Yamuna… - … Acta Part A: Molecular …, 2014 - Elsevier
The experimental FT-IR and FT-Raman spectra of 9-[3-(Dimethylamino) propyl]-2-trifluoro-
methyl-9H-thioxanthen-9-ol have been recorded. Quantum chemical calculations of …
methyl-9H-thioxanthen-9-ol have been recorded. Quantum chemical calculations of …
Molecular conformational analysis, vibrational spectra, NBO, NLO, HOMO–LUMO and molecular docking studies of ethyl 3-(E)-(anthracen-9-yl) prop-2-enoate based …
YS Mary, HT Varghese, CY Panicker… - … Acta Part A: Molecular …, 2015 - Elsevier
Abstract FT-IR and FT-Raman spectra of ethyl 3-(E)-(anthracen-9-yl) prop-2-enoate were
recorded and analyzed. The conformational behavior of the molecule was also investigated …
recorded and analyzed. The conformational behavior of the molecule was also investigated …