Results 171 to 180 of about 17,573 (205)
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Pramana, 2017
In the present work, we have reported a theoretical study on molecular structure and vibrational spectra of organic nonlinear optical 2-aminopyridinium p-toluenesulphonate (APPTS). The molecular geometry, electrostatic potential surface and vibrational wave numbers with Raman intensities and infrared absorption intensities in the ground state have been
Mahesh Pal Singh Yadav, Anuj kumar
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In the present work, we have reported a theoretical study on molecular structure and vibrational spectra of organic nonlinear optical 2-aminopyridinium p-toluenesulphonate (APPTS). The molecular geometry, electrostatic potential surface and vibrational wave numbers with Raman intensities and infrared absorption intensities in the ground state have been
Mahesh Pal Singh Yadav, Anuj kumar
openaire +1 more source
The Journal of Physical Chemistry A, 2011
In this study we combined QM calculations and NMR measurements to understand at a detailed level the complex interplay of structural/electronic properties with the effects of the solvent in the NLO activity of push-pull systems, quantified in terms of variations of the static hyperpolarizability.
A. MARINI +4 more
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In this study we combined QM calculations and NMR measurements to understand at a detailed level the complex interplay of structural/electronic properties with the effects of the solvent in the NLO activity of push-pull systems, quantified in terms of variations of the static hyperpolarizability.
A. MARINI +4 more
openaire +2 more sources
AIP Conference Proceedings, 2008
NIR FT‐Raman and FT‐IR spectra of the non linear optic (NLO) material, Bis (4‐Nitrophenyl) carbonate (BNPC) have been recorded and analyzed. Ab initio quantum chemical computations have been performed at HF/6‐31G(d) level to compute the optimized geometry, vibrational wavenumbers, intensities and first hyperpolarizability.
Pillai Indu Ramachandra +5 more
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NIR FT‐Raman and FT‐IR spectra of the non linear optic (NLO) material, Bis (4‐Nitrophenyl) carbonate (BNPC) have been recorded and analyzed. Ab initio quantum chemical computations have been performed at HF/6‐31G(d) level to compute the optimized geometry, vibrational wavenumbers, intensities and first hyperpolarizability.
Pillai Indu Ramachandra +5 more
openaire +1 more source
Organic Electronics, 2019
Abstract Functionalized photochromic materials have attracted a growing interest during the last few decades since they are promising materials to be used in optoelectronics and photonics. In this paper, the results of the nonlinear optical (NLO) investigation (second and third harmonic generation) of spin deposited high-quality thin films of ...
Guichaoua, Dominique +7 more
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Abstract Functionalized photochromic materials have attracted a growing interest during the last few decades since they are promising materials to be used in optoelectronics and photonics. In this paper, the results of the nonlinear optical (NLO) investigation (second and third harmonic generation) of spin deposited high-quality thin films of ...
Guichaoua, Dominique +7 more
openaire +2 more sources
Journal of Molecular Structure, 2013
Abstract FT-Raman and IR spectra of the biologically active molecule N-(p-methoxybenzylidene)aniline (NpMBA) have been recorded and analyzed. The molecular geometry of the title compound in the ground state have been calculated by density functional theory (DFT) with 6-31+G(d) and 6-311++G(d, p) basis sets.
V. Balachandran +3 more
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Abstract FT-Raman and IR spectra of the biologically active molecule N-(p-methoxybenzylidene)aniline (NpMBA) have been recorded and analyzed. The molecular geometry of the title compound in the ground state have been calculated by density functional theory (DFT) with 6-31+G(d) and 6-311++G(d, p) basis sets.
V. Balachandran +3 more
openaire +1 more source
Integrative oncology: Addressing the global challenges of cancer prevention and treatment
Ca-A Cancer Journal for Clinicians, 2022Jun J Mao,, Msce +2 more
exaly
Multidisciplinary standards of care and recent progress in pancreatic ductal adenocarcinoma
Ca-A Cancer Journal for Clinicians, 2020Aaron J Grossberg +2 more
exaly
Oral complications of cancer and cancer therapy
Ca-A Cancer Journal for Clinicians, 2012Joel B Epstein +2 more
exaly