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
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
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.
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
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
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
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
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
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
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
The nature of the ionic V state of ethene.
file con accesso da definire2009 Angeli, Celestino
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: The V state of ethene as a prototype
2009 Angeli, Celestino
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
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
On the nature of the π → π* ionic excited states
file con accesso da definire2009 Angeli, Celestino
Multireference perturbation theory: the n-electron valence state perturbation theory approach
file con accesso da definire2010 Angeli, Celestino
Structure and magnetic properties of dinuclear and trinuclear copper(II) triethanolamine complexes
file con accesso da definire2010 Ferretti, Valeria; Molinari, Alessandra; Angeli, Celestino; C. J., Calzado; R. P., Sharma; A., Saini; S., Singh
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| An ab initio multireference perturbation theory study on the manganese dimer. | 2008 | Angeli, Celestino; Cavallini, Alex; Cimiraglia, Renzo | file con accesso da definire |
| On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. | 2008 | Queralt, N.; Taratiel, D.; de GRAAF, C.; Caballol, R.; Cimiraglia, Renzo; Angeli, Celestino | file con accesso da definire |
| X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s -> sigma* resonance: Experiment and theory. | 2008 | Feifel, R.; Velkov, Y.; Carravetta, V.; Angeli, Celestino; Cimiraglia, Renzo; Salek, P.; Gel'Mukh...anov, F.; Sorensen, S. L.; Piancastelli, M. N.; DE FANIS, A.; Okada, K.; Kitajima, M.; Tanaka, T.; Tanaka, H.; Ueda, K. | file con accesso da definire |
| Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene | 2008 | Angeli, Celestino; J. P., Malrieu | 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...li, Celestino; Cimiraglia, Renzo | file con accesso da definire |
| Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system. | 2008 | Leonardi, E.; D'Aguanno, B.; Angeli, Celestino | file con accesso da definire |
| On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule | 2008 | Angeli, Celestino; Cimiraglia, Renzo; Malrieu, J. P. | file con accesso da definire |
| Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library | 2008 | A., Scemama; A., Monari; Angeli, Celestino; S., Borini; S., Evangelisti; E., Rossi | file con accesso da definire |
| TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. | 2009 | Alberti, A.; Martucci, Annalisa; Pasti, Luisa; Angeli, Celestino; Braschi, I. | file con accesso da definire |
| On the Maxwell-Stefan approach to diffusion: a general resolution in the transient regime for one dimensional systems | 2009 | E., Leonardi; Angeli, Celestino | file con accesso da definire |
| On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n-electron valence state perturbation theory approach. | 2009 | Angeli, Celestino; R., Improta; F., Santoro | file con accesso da definire |
| Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited | 2009 | C. J., Calzado; Angeli, Celestino; D., Taratiel; R., Caballol; J. P., Malrieu | file con accesso da definire |
| The nature of the ionic V state of ethene. | 2009 | Angeli, Celestino | 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...enzo | file con accesso da definire |
| On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype | 2009 | Angeli, Celestino | |
| 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...angelisti | file con accesso da definire |
| A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine | 2009 | Angeli, Celestino; Cimiraglia, Renzo; M., Cestari | file con accesso da definire |
| On the nature of the π → π* ionic excited states | 2009 | Angeli, Celestino | file con accesso da definire |
| Multireference perturbation theory: the n-electron valence state perturbation theory approach | 2010 | Angeli, Celestino | file con accesso da definire |
| Structure and magnetic properties of dinuclear and trinuclear copper(II) triethanolamine complexes | 2010 | Ferretti, Valeria; Molinari, Alessandra; Angeli, Celestino; C. J., Calzado; R. P., Sharma; A., Sa...ini; S., Singh | file con accesso da definire |
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