1,375,808 research outputs found
Multireference perturbation theory: the challenging case of the ionic excited states.
No full textMultireference Perturbation theory, in its different implementations and applied up to second order in the energy, has shown to be a very effective approach for the study of the excited states of small and medium size molecules, with a good computational-cost/accuracy ratio. The agreement with experimental data is in general excellent, with errors often lower than 0.2 eV for the excitation energies. This reassuring result is partially invalidated by the peculiar behaviour of a class of π → π* excited states, called “ionic states”, for which larger errors are found with a marked dependence of the theoretical values on the computational parameters (basis set, active space, partition of the Hamiltonian). Based on the experience gained in the last years in our group [1-4], we present some considerations concerning the nature of these excited states, a first step in the direction to unravel this intricate challenge. The discussion is essentially based on the NEVPT2 [5,6] approach, but it equally applies to all MRPT2 methods.
[1] A. Angeli, J. Comp. Chem. 30, 1319 (2009)
[2] A. Angeli, R. Improta, F. Santoro, J. Chem. Phys. 130, 174307 (2009)
[3] A. Angeli, Int. J. Quant. Chem. 110, 2436 (2010)
[4] A. Angeli, M. Pastore, J. Chem. Phys. 134, 184301 (2011)
[5] A. Angeli, R. Cimiraglia, S. Evangelisti, T. Leininger, J.-P. Malrieu, J. Chem. Phys. 114, 10252 (2001)
[6] A. Angeli, M. Pastore, R. Cimiraglia, Theor. Chem. Acc. 117, 743 (2007
La chiesa di S. Maria degli Angeli a Roma. Dai ruderi delle Terme di Diocleziano al tempio cristiano
No full textLa comunicazione presenta il lungo excursus storico e architettonico della chiesa romana di S. Maria degli Angeli
Angeli Nicolas' DMA Oboe Recital 1
No full textOboe Concerto in D minor, Alessandro Marcello
Capriccio for Oboe and Piano, Op. 80, Amilcare Ponchielli
Variations on a Theme by Glinka, Nikolai Rimsky-Korsakov
Oboe Concerto in C major, Hob. VIIg:C1, Joseph HaydnRelated dissertation for this degree -- Exploring the Transformation of the English Horn: Its Origin, Design, Development, and its Continued Relevance: https://hdl.handle.net/2346/102353
Related performance for this degree -- Angeli Nicolas' DMA Oboe Recital 2: https://hdl.handle.net/2346/103888
Related performance for this degree -- Angeli Nicolas' DMA Oboe Recital 3: https://hdl.handle.net/2346/103889
Related performance for this degree -- Angeli Nicolas' DMA Oboe Recital 4: https://hdl.handle.net/2346/103890Recital recordings are archival copies for educational purposes only. Members of the TTU community may request to listen/view them for educational purposes via the PDF link to the left
Angeli Nicolas' DMA Oboe Recital 3
No full textConcerto for Two Oboe, Op. 9 No. 3, Tomaso Albinoni
Trio for Oboe, Bassoon, and Piano, André Previn
Oboe Quartet in F Major, K. 370, W. A. Mozart
Aria and Quodlibet for Woodwind Quintet, Arne RunningRelated dissertation for this degree -- Exploring the Transformation of the English Horn: Its Origin, Design, Development, and its Continued Relevance: https://hdl.handle.net/2346/102353
Related performance for this degree -- Angeli Nicolas' DMA Oboe Recital 1: https://hdl.handle.net/2346/103887
Related performance for this degree -- Angeli Nicolas' DMA Oboe Recital 2: https://hdl.handle.net/2346/103888
Related performance for this degree -- Angeli Nicolas' DMA Oboe Recital 4: https://hdl.handle.net/2346/103890Recital recordings are archival copies for educational purposes only. Members of the TTU community may request to listen/view them for educational purposes via the PDF link to the left
Fate, angeli caduti e angeli neutrali nella letteratura delle isole britanniche
No full textEsiste evidentemente un legame fra gli angeli caduti e gli angeli neutrali che non presero posizione nella guerra nei cieli, ma qual è il rapporto degli uni e degli altri con il popolo fatato? Seguendo una linea che si snoda dalle leggende ebraiche a Dante e la Navigatio Sancti Brandani, fino alle storie sulle fate nelle isole britanniche, si vedrà come sia stata spiegata l’anomala condizione delle fate, identificate di volta in volta con gli angeli caduti o con quelli neutrali
Teacher education for effective technology integration
No full textAbout a decade ago, several researchers used Shulman's (1986) framework about Pedagogical Content Knowledge (PCK) - a body of knowledge that constitutes a special amalgam of content, pedagogy, learners, and context - as a theoretical basis for developing TPCK or TPACK: a framework for guiding teachers' cognition about technology integration in teaching and learning (Angeli, Valanides, & Christodoulou, 2016). Different models of TPCK/TPACK are proposed in the literature, each with a different focus (on practice, instructional design, context, etc.) and with a different theoretical interpretation about the nature and development of the knowledge that teachers need to have to be able to teach with technology (e.g., Angeli & Valanides, 2005, 2009, 2013; Koehler & Mishra, 2008; Niess, 2005).In this direction, research is being carried out to identify TPCK design procedures for initial teacher education. In teaching, when transferring TPCK to design and methodological practices, there is a need to consider a number of factors, especially: the different modes of adopting technologies; the integration of tool affordances, content and pedagogy; the implementation of learning environments; the operationalization of knowledge; and detailed analysis of teaching models and approache
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA.
No full textConvenzione biennale di Ricerca tra Istituto Eni Donegani Enviromental Technologies e il Consorzio Ferrara Ricerche (CFR). Responsabile scientifico del progetto: Alberto Alberti; Responsabili di Unità: Annalisa Martucci, Unita di Mineralogia, Università di Ferrara; Luisa Pasti, Unità di Chimica Analitica, Università di Ferrara; Celestino Angeli, Unità di Chimica Fisica, Università di Ferrara; Ilaria Braschi, Unità di Chimica del suolo, Università di Bologna
Animali, angeli, macchine nella filosofia del linguaggio dall'antichità a Cartesio
No full textAnalisi del modo in cui dall'antichità claso a Cartesio gli studi filosofici sul linguaggio adottano tre tipi di n"pietre di paragone" per analizzare il linguaggio umano: il linguaggio degli animali; quello degli angeli (a partire dal Medioevo); quello delle macchine (a partire dal '600)
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