Results 191 to 200 of about 17,639 (221)
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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
openaire +2 more sources
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
2012 14th International Conference on Transparent Optical Networks (ICTON), 2012
Nonlinear optical (NLO) materials have been extensively studied for many years. The search of new materials with NLO properties is an important research field. Significant interest still exists in the design and development of materials exhibiting large second and third-order NLO response because of the potential application in optoelectronics devices.
Sahraoui, B. +4 more
openaire +2 more sources
Nonlinear optical (NLO) materials have been extensively studied for many years. The search of new materials with NLO properties is an important research field. Significant interest still exists in the design and development of materials exhibiting large second and third-order NLO response because of the potential application in optoelectronics devices.
Sahraoui, B. +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
openaire +1 more source
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
openaire +2 more sources
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
A general framework for implementing NLO calculations in shower Monte Carlo programs: the POWHEG BOX
Journal of High Energy Physics, 2010Simone Alioli, Paolo Nason, Carlo Oleari
exaly
Journal of Photochemistry and Photobiology A: Chemistry, 2023
Fazilat Bano +7 more
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Fazilat Bano +7 more
openaire +1 more source
Merging meets matching in MC@NLO
Journal of High Energy Physics, 2012Rikkert, Stefano Frixione
exaly
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2020
D SAJAN, Reji Philip, Nithin Joy
exaly
D SAJAN, Reji Philip, Nithin Joy
exaly