Sfoglia per Autore
An ab initio multireference perturbation theory study on the manganese dimer.
file con accesso da definire2008 Angeli, Celestino; Cavallini, Alex; Cimiraglia, Renzo
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s -> sigma* resonance: Experiment and theory.
file con accesso da definire2008 Feifel, R.; Velkov, Y.; Carravetta, V.; Angeli, Celestino; Cimiraglia, Renzo; Salek, P.; Gel'Mukhanov, F.; Sorensen, S. L.; Piancastelli, M. N.; DE FANIS, A.; Okada, K.; Kitajima, M.; Tanaka, T.; Tanaka, H.; Ueda, K.
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system.
file con accesso da definire2008 Leonardi, E.; D'Aguanno, B.; Angeli, Celestino
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?
file con accesso da definire2008 Pastore, Mariachiara; W., Helal; S., Evangelisti; T., Leininger; J. P., Malrieu; D., Maynau; Angeli, Celestino; Cimiraglia, Renzo
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene
file con accesso da definire2008 Angeli, Celestino; J. P., Malrieu
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule
file con accesso da definire2008 Angeli, Celestino; Cimiraglia, Renzo; Malrieu, J. P.
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library
file con accesso da definire2008 A., Scemama; A., Monari; Angeli, Celestino; S., Borini; S., Evangelisti; E., Rossi
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes.
file con accesso da definire2008 Queralt, N.; Taratiel, D.; de GRAAF, C.; Caballol, R.; Cimiraglia, Renzo; Angeli, Celestino
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA.
file con accesso da definire2009 Alberti, A.; Martucci, Annalisa; Pasti, Luisa; Angeli, Celestino; Braschi, I.
On the Maxwell-Stefan approach to diffusion: a general resolution in the transient regime for one dimensional systems
file con accesso da definire2009 E., Leonardi; Angeli, Celestino
The nature of the ionic V state of ethene.
file con accesso da definire2009 Angeli, Celestino
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n-electron valence state perturbation theory approach.
file con accesso da definire2009 Angeli, Celestino; R., Improta; F., Santoro
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype
2009 Angeli, Celestino
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited
file con accesso da definire2009 C. J., Calzado; Angeli, Celestino; D., Taratiel; R., Caballol; J. P., Malrieu
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound.
file con accesso da definire2009 Pastore, Mariachiara; W., Helal; Angeli, Celestino; S., Evangelisti; T., Leininger; Cimiraglia, Renzo
On the nature of the π → π* ionic excited states
file con accesso da definire2009 Angeli, Celestino
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine
file con accesso da definire2009 Angeli, Celestino; Cimiraglia, Renzo; M., Cestari
A theoretical study of BeN linear chains: Variational and perturbative approaches
file con accesso da definire2009 Pastore, Mariachiara; A., Monari; Angeli, Celestino; G. L., Bendazzoli; Cimiraglia, Renzo; S., Evangelisti
Multireference perturbation theory: the n-electron valence state perturbation theory approach
file con accesso da definire2010 Angeli, Celestino
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena
file con accesso da definire2010 E., Leonardi; B., D’Aguanno; Angeli, Celestino
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