Search results for "SSC"
showing 10 items of 69 documents
Theoretical Research on the Photophysics and Photochemistry of Water Aggregates and DNA/RNA Nucleobases
2014
La presente Tesis Doctoral provee una serie de conclusiones basadas en los estudios realizados durante la realización de la misma. En líneas generales, la caracterización teórica de las propiedades espectroscópicas asociadas al agua ha sido completada y ampliada. Diferentes modelos de agua han sido postulados para mejorar la cararcterización tanto del agua tipo “bulk”, generalmente asignada a la parte interior del agua líquida en la que hay un equilibrio dinámico de los enlaces de hidrógeno, así como del agua denominada estructurada u ordenada, presente generalmente en la interfase entre sólidos y biomoléculas y la propia agua líquida. Ambos tipos de agua poseen señales espectroscópicas dif…
Mechanisms of causal interaction between short-term RR interval and systolic arterial pressure oscillations during orthostatic challenge
2013
The transition from the supine to the upright position requires a reorganization of the mechanisms of cardiovascular control that, if not properly accomplished, may lead to neurally mediated syncope. We investigated how the patterns of causality between systolic arterial pressure (SAP) and cardiac RR interval were modified by prolonged head-up tilt using a novel nonlinear approach based on corrected conditional entropy (CCE) compared with the standard approach exploiting the cross-correlation function (CCF). Measures of coupling strength and delay of the causal interactions from SAP to RR and from RR to SAP were obtained in 10 patients with recurrent, neurally mediated syncope (RNMS) and 10…
Weimar als Argument: Das Republikschutzgesetz in den Debatten um Staats- und Verfassungsschutz in der frühen Bundesrepublik
2022
The characterization of molecular alkaly metal azides
2006
Matrix isolation infrared (IR) studies have been carried out on the vaporisation of the alkali-metal azides MN(3) (M = Na, K, Rb and Cs). The results show that under high vacuum conditions, molecular KN(3), RbN(3) and CsN(3) are present as stable high-temperature vapour species, together with variable amounts of nitrogen gas and the corresponding metal atoms. The characterisation of these molecular azides is supported by ab initio molecular orbital calculations and density functional theory (DFT) calculations, and for CsN(3) in particular, by the detection of the isotopomers CS((14)N(15)N(14)N) and Cs((15)N(14)N(14)N). The IR spectra are assigned to a "side-on" (C(2v)) structure by comparis…
Recensione di LEHMANN A. W. & NÜSS H., 2015. Libellen. Bestimmungsschüssel für Nord und Mitteleuropa. Deutscher Jugendbund für Naturbeobachtung, 200 …
2018
Moduli DSSC integrati nel vetromattone per la costruzione di pannelli traslucidi fotovoltaici multifunzionali
2012
La proposta illustrerà i primi risultati ottenuti nell’ambito di una ricerca, tutt’ora in corso presso il Dipartimento di Architettura dell’Università degli Studi di Palermo, finalizzata ad indagare le problematiche connesse all’integrazione del vetromattone con sistemi di produzione di energia rinnovabile, in particolare, di terza generazione (DSC-Dye Syntetized solar cell - celle fotovoltaiche organiche/ibride). I principali campi di investigazione che si illustreranno saranno connessi alle: tecniche ed i processi di deposizione delle celle sul vetromattone per la costruzione dei moduli, alla scelta del loro migliore posizionamento ed all’analisi delle ricadute, in termini di valutazione …
Instabilities Effects in Thin Film Solar Cells: Reversible Ageing, Performance Recovery and Improvement by Electrical Stresses
Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2
2016
The present study provides new insights into the topography of the potential energy hypersurfaces (PEHs) of the thymine nucleobase in order to rationalize its main ultrafast photochemical decay paths by employing two methodologies based on the complete active space self-consistent field (CASSCF) and the complete active space second-order perturbation theory (CASPT2) methods: (i) CASSCF optimized structures and energies corrected with the CASPT2 method at the CASSCF geometries and (ii) CASPT2 optimized geometries and energies. A direct comparison between these strategies is drawn, yielding qualitatively similar results within a static framework. A number of analyses are performed to assess t…
Variability Among Italian Citrus tristeza virus Isolates Revealed by SSCP Analysis, Cloning and Sequencing
2005
One-bond 1 J (15 N,H) coupling constants at sp2 -hybridized nitrogen of Schiff bases, enaminones and similar compounds: A theoretical study
2020
1 J(15 N,H) coupling constants for enaminones and NH-forms of intramolecularly hydrogen-bonded Schiff bases as model compounds for sp2 -hybridized nitrogen atoms are evaluated using density functional theory (DFT) to find the optimal functionals and basis sets. Ammonia is used as a test molecule and its one-bond coupling constant is compared with experiment. A methylamine Schiff base of a truncated molecule of gossypol is used for checking the performance of selected B3LYP, O3LYP, PBE, BHandH, and APFD density functionals and standard, modified, and dedicated basis sets for coupling constants. Both in vacuum and in chloroform, modeled by the simple continuum model of solvent, the modified b…