ANGELI, Celestino

ANGELI, Celestino  

Dipartimento di Scienze chimiche, farmaceutiche ed agrarie  

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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 computational study of salt diffusion and heat extraction in solar pond plants 2006 Angeli, Celestino; Leonardi, E.; Maciocco, L. 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 one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 2004 Angeli, Celestino; Leonardi, E. 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 surface hopping study of energy transfer in Na + Cd* collisions 1996 Angeli, Celestino; Granucci, G.; Persico, M. 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
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
An ab initio multireference perturbation theory study on the manganese dimer. 2008 Angeli, Celestino; Cavallini, Alex; Cimiraglia, Renzo file con accesso da definire
An analysis of the dynamic sigma polarization in the V state of ethene 2010 Angeli, Celestino 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
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 2004 Angeli, Celestino; Borini, Stefano; Cimiraglia, Renzo 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