CIMIRAGLIA, Renzo

CIMIRAGLIA, Renzo  

Dipartimento di Scienze Chimiche e Farmaceutiche  

Mostra records
Risultati 1 - 20 di 144 (tempo di esecuzione: 0.038 secondi).
Titolo Data di pubblicazione Autore(i) File
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 2005 Angeli, Celestino; Borini, Stefano; Ferrighi, L.; Cimiraglia, Renzo file con accesso da definire
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 2012 Angeli, Celestino; Cimiraglia, Renzo; M., Pastore file con accesso da definire
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds 1987 H., Hofmann; Cimiraglia, Renzo; J., Tomasi file con accesso da definire
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 2006 Angeli, Celestino; Calzado, C. J.; Cimiraglia, Renzo; Malrieu, J. P. 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
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 2011 Angeli, Celestino; Cimiraglia, Renzo file con accesso da definire
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 novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 2002 Angeli, Celestino; Evangelisti, S.; Cimiraglia, Renzo; Maynau, D. file con accesso da definire
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 1980 Cimiraglia, Renzo; S., Miertus; J., Tomasi file con accesso da definire
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 2006 Angeli, Celestino; Sparta, M.; Cimiraglia, Renzo file con accesso da definire
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 2004 Angeli, Celestino; Borini, Stefano; Cestari, M.; Cimiraglia, Renzo file con accesso da definire
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 2006 Angeli, Celestino; Cimiraglia, Renzo; Malrieu, J. P. file con accesso da definire
A Theoretical description of the trans- cis conversion in the lowest excited states of diimide. A comparison of different methods for the calculation of excited state wave functions 1977 Cimiraglia, Renzo; J. M., Riera; J., Tomasi file con accesso da definire
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 theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 1982 T. K., Ha; Cimiraglia, Renzo file con accesso da definire
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 1982 Cimiraglia, Renzo; T. K., Ha; H. H., Guenthard file con accesso da definire
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 1983 R., Bonaccorsi; Cimiraglia, Renzo; J., Tomasi file con accesso da definire
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 2005 Angeli, Celestino; Borini, Stefano; Ferrighi, L.; Cimiraglia, Renzo file con accesso da definire
Ab initio quasi-relativistic calculations on angular momentum and magnetic couplings of molecular electronic states. 2002 Zaitsevskii, A.; Ferber, R.; Cimiraglia, Renzo file con accesso da definire
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 1985 Cimiraglia, Renzo; M., Persico; J., Tomasi file con accesso da definire