Sfoglia per Autore
Non adiabatic interactions in the symmetric ring opening process of dioxirane
file con accesso da definire1982 Cimiraglia, Renzo; T. K., Ha; R., Meyer; H. H., Guenthard
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO
file con accesso da definire1982 T. K., Ha; Cimiraglia, Renzo
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2
file con accesso da definire1982 Cimiraglia, Renzo; T. K., Ha; H. H., Guenthard
On the use of a MO polarized basis for the analysis of the interaction energy in molecular interactions: application to amine complexes
file con accesso da definire1983 R., Bonaccorsi; P., Palla; Cimiraglia, Renzo; J., Tomasi
The mechanism of carbonyl reduction by LiBH_4 : an ab initio investigation with inclusion of solvent effects
file con accesso da definire1983 R., Bonaccorsi; Cimiraglia, Renzo; J., Tomasi; S., Miertus
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects
file con accesso da definire1983 R., Bonaccorsi; Cimiraglia, Renzo; J., Tomasi
On the free energy changes of a solution in light absorption or emission processes
file con accesso da definire1983 R., Bonaccorsi; Cimiraglia, Renzo; J., Tomasi
Electron correlation and relative energetic characteristics of complex hydrides of light elements.I. Beryllohydrides
file con accesso da definire1984 Cimiraglia, Renzo; M., Persico; J., Tomasi; O. P., Charkin
The effect of the solvent in electronic transitions: some recent developments in the continuum model
file con accesso da definire1984 R., Bonaccorsi; Cimiraglia, Renzo; J., Tomasi
The determination of radial nonadiabatic coupling: HeNe^2+ as a case study
file con accesso da definire1984 M. C., Bacchus Montabonel; Cimiraglia, Renzo; M., Persico
Second order perturbation correction to CI energies by use of diagrammatic techniques: an improvement to the CIPSI algorithm
file con accesso da definire1985 Cimiraglia, Renzo
Determination of the radial coupling between molecular states
file con accesso da definire1985 M. C., Bacchus Montabonel; Cimiraglia, Renzo; M., Persico
Quasi--diabatic states and dynamical couplings from ab initio CI calculations: a new proposal
file con accesso da definire1985 Cimiraglia, Renzo; J., Malrieu; M., Persico; F., Spiegelmann
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines
file con accesso da definire1985 Cimiraglia, Renzo; M., Persico; J., Tomasi
On the conformation of bipyridine dications and cation radicals
file con accesso da definire1986 H., Hofmann; Cimiraglia, Renzo; J., Tomasi
On the conformational structure of amrinone and milrinone
file con accesso da definire1987 H., Hofmann; Cimiraglia, Renzo
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds
file con accesso da definire1987 H., Hofmann; Cimiraglia, Renzo; J., Tomasi
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group
file con accesso da definire1987 Cimiraglia, Renzo; D., Maynau; M., Persico
Recent advances in multireference second order perturbation CI: the CIPSI method revisited
file con accesso da definire1987 Cimiraglia, Renzo; M., Persico
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene
file con accesso da definire1988 Cimiraglia, Renzo; D., Maynau; M., Persico
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