SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

PASTORE, Mariachiara

PASTORE, Mariachiara  

Dipartimento di Chimica (attivo dal 01/01/1900 al 30/09/2012)  

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Risultati 1 - 11 di 11 (tempo di esecuzione: 0.03 secondi).
Titolo Data di pubblicazione Autore(i) File
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 2007 Pastore, Mariachiara; Angeli, Celestino; Cimiraglia, Renzo file con accesso da definire
A Series of Iron(II)-NHC Sensitizers with Remarkable Power Conversion Efficiency in Photoelectrochemical Cells 2021 Reddy Marri, Anil; Marchini, Edoardo; Diez Cabanes, Valentin; Argazzi, Roberto; Pastore, Mariachi... espandiara; Caramori, Stefano; Bignozzi, Carlo Alberto; Gros, Philippe C.
A theoretical study of BeN linear chains: Variational and perturbative approaches 2009 Pastore, Mariachiara; A., Monari; Angeli, Celestino; G. L., Bendazzoli; Cimiraglia, Renzo; S., Ev... espandiangelisti file con accesso da definire
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 2006 Pastore, Mariachiara; Angeli, Celestino; Cimiraglia, Renzo file con accesso da definire
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 2009 Pastore, Mariachiara; W., Helal; Angeli, Celestino; S., Evangelisti; T., Leininger; Cimiraglia, R... espandienzo file con accesso da definire
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 2008 Pastore, Mariachiara; W., Helal; S., Evangelisti; T., Leininger; J. P., Malrieu; D., Maynau; Ange... espandili, Celestino; Cimiraglia, Renzo file con accesso da definire
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 2014 Enrico, Ronca; Angeli, Celestino; Leonardo, Belpassi; Filippo De, Angelis; Francesco, Tarantelli;... espandi Pastore, Mariachiara file con accesso da definire
Hydration Mechanisms of Tungsten Trioxide Revealed by Water Adsorption Isotherms and First-Principles Molecular Dynamics Simulations 2023 Foucaud, Yann; Ben Jannet, Azza; Caramori, Stefano; Canevesi, Rafael; Said, Moncef; Celzard, Alai... espandin; Fierro, Vanessa; Badawi, Michael; Pastore, Mariachiara
Multireference Perturbation Theories for the accurate calculation of energy and molecular properties 2009 Pastore, Mariachiara
New perspectives in multireference perturbation theory: the n-electron valence state approach 2007 Angeli, Celestino; Pastore, Mariachiara; Cimiraglia, Renzo file con accesso da definire
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 2006 Pastore, Mariachiara; Angeli, Celestino; Cimiraglia, Renzo file con accesso da definire