Sfoglia per Autore
A program for determining approximate molecular electrostatic potentials and net atomic charges of biological macromolecules: an application to cytochromes.
1985-01-01 G., DEL RE G; G., Pepe; D., Laporte; Minichino, Camilla; B., Serres
Surface electrostatic potentials on macromolecules in a monopole approximation: a computer program and an application to cytochromes.
1985-01-01 G., Pepe; B., Serres; D., Laporte; G., Del Re; Minichino, Camilla
Hydrogen bridges and electron transfer in biomolecules. Study of a possible mechanism on a model charge-recombination system
1985-01-01 G., DEL RE; A., Peluso; Minichino, Camilla
Charge Distribution and Chemical Effects. XLII. Bond Dissociation Energy and Radical Formation
1987-01-01 S., Fliszàr; Minichino, Camilla
Interaction of carbon atoms with the basal plane of graphite. A theoretical study of the chemisorption on model finite cluster compounds.
1987-01-01 N., Russo; E., Iaconis; M., Toscano; V., Barone; Minichino, Camilla
Cluster model study of the chemisorption of atomic hydrogen on the basal plane of graphite
1987-01-01 V., Barone; LELJ GAROLLA DI BARD, Francesco; Minichino, Camilla; N., Russo; M., Toscano
Bond Energies and Bond Dissociation Energies
1987-01-01 S., Fliszàr; Minichino, Camilla
Conformational behavior of aromatic systems. Part X. Isomeric phenylpyrroles.
1987-01-01 N., RUSSO N; M., Toscano; V., Barone; Minichino, Camilla
On the calculation of atomization energies of organic molecules in the Xα local spin density approximation
1988-01-01 S., Fliszàr; S., Rioux; J., Andzelm; Minichino, Camilla; E., Vauthier
Model clusters and electronic characteristics of deep-level impurities in silicon
1988-01-01 N., Russo; M., Toscano; V., Barone; Minichino, Camilla
Ab Initio Peseudopotential Study of the Fluxional Behavior in Tetrahydroborate Complexes. Many-Body Contribution to the Energy Barriets of NaBH4, AlH2BH4 and GaH2BH4.
1988-01-01 V., Barone; Minichino, Camilla; LELJ GAROLLA DI BARD, Francesco; N., Russo
Conformational behavior of non-fused biheterocycles. Part 11. 2,2'-2,2′-Bi-imidazolyl
1988-01-01 V., Barone; LELJ GAROLLA DI BARD, Francesco; Minichino, Camilla; N., Russo; M., Toscano
Conformational behavior of nonfused biheterocycles. The case of isomeric phenylfurans
1988-01-01 V., Barone; Minichino, Camilla; N., Russo; M., Toscano
Structural and electronic origin of the conformational behavior of biphenyl-like -diimine ligands. A theoretical study.
1988-01-01 V., Barone; Minichino, Camilla; S., Fliszar; N., Russo
A Theoretical Characterization of the Structure, Formation Enthalpy and Fluxional Behavior of B2H6 and AlBh6
1989-01-01 V., Barone; Minichino, Camilla
Nonempirical cluster-model study of the relaxation of (111) surfaces of carbon, silicon and germanium.
1990-01-01 Minichino, Camilla; N., Russo; M., Toscano; F., Illas; J., Rubio
X-alpha local spin density calculations of the 1:1 hydrogen-bonded complexes formed by water, ammonia, and hydrogen fluoride
1990-01-01 E. C., Vauthier; V., Barone; Minichino, Camilla; S., Fliszàr
Ab Initio Study of Nitroxyl and Imino Nitroxides. Relation Between Electronic Structure and Magnetic Properties in Metal-Nitroxide Complexes
1991-01-01 A., Grand; P., Rey; R., Subra; V., Barone; Minichino, Camilla
Classical Trajectory Study of the Molecular Dissociation Dynamics of Formaldehyde: H2CO -> H2 + CO
1992-01-01 Y. T., Chang; Minichino, Camilla; W. H., Miller
Vibro-Rotational Analysis of Si2C from Ab Initio Potential Energy Surface. A Comparison between Perturbative and Variational Methods
1992-01-01 V., Barone; P., Jensen; Minichino, Camilla
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