Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative

In this work we determine the linear and non-linear optical properties of a Fluoro-N-Acylhydrazide derivative (FBHZ), using a combined supermolecule approach and an iterative scheme of electrostatic polarization, where the atoms of neighbouring molecules are represented by point charges. Our results...

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Veröffentlicht in:	PloS one 2017-04, Vol.12 (4), p.e0175859-e0175859
Hauptverfasser:	Rodrigues, Rosemberg F N, Almeida, Leonardo R, Santos, Florisberto G Dos, Carvalho, Jr, Paulo S, Souza, Wanderson C de, Moreira, Kleber S, Aquino, Gilberto L B de, Valverde, Clodoaldo, Napolitano, Hamilton B, Baseia, Basílio
Format:	Artikel
Sprache:	eng
Schlagworte:	Aldehydes Ammonium Arginine Asymmetry Benzoic acid Benzylidene Compounds - chemistry Bonding Calorimetry Calorimetry, Differential Scanning Chemical bonds Chemistry Chromophores Computer applications Condensation Crystal structure Crystallography Crystallography, X-Ray Crystals Data processing Diffraction Electric fields Electrical properties Embedding Engineering High pressure Hydrogen Hydrogen bonding Hydrogen bonds Hydrogen ion concentration Inspection Ketones Manganese Models, Theoretical Molecular properties Molecular Structure Nitrobenzoic acid Nonlinear optics Nonlinear systems Optical properties Optics Phosphates Physical Sciences Physics Polarization Polymers Quantum dots Salts Solar cells Solid state Solids Spectroscopy Temperature variations Thermogravimetric analysis Thermogravimetry X ray analysis
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