Sfoglia per Autore  

Opzioni
Mostrati risultati da 1 a 20 di 40
Titolo Data di pubblicazione Autore(i) File
A program for determining approximate molecular electrostatic potentials and net atomic charges of biological macromolecules: an application to cytochromes. 1-gen-1985 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. 1-gen-1985 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 1-gen-1985 G., DEL RE; A., Peluso; Minichino, Camilla
Charge Distribution and Chemical Effects. XLII. Bond Dissociation Energy and Radical Formation 1-gen-1987 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. 1-gen-1987 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 1-gen-1987 V., Barone; LELJ GAROLLA DI BARD, Francesco; Minichino, Camilla; N., Russo; M., Toscano
Bond Energies and Bond Dissociation Energies 1-gen-1987 S., Fliszàr; Minichino, Camilla
Conformational behavior of aromatic systems. Part X. Isomeric phenylpyrroles. 1-gen-1987 N., RUSSO N; M., Toscano; V., Barone; Minichino, Camilla
Conformational behavior of nonfused biheterocycles. The case of isomeric phenylfurans 1-gen-1988 V., Barone; Minichino, Camilla; N., Russo; M., Toscano
Ab Initio Peseudopotential Study of the Fluxional Behavior in Tetrahydroborate Complexes. Many-Body Contribution to the Energy Barriets of NaBH4, AlH2BH4 and GaH2BH4. 1-gen-1988 V., Barone; Minichino, Camilla; LELJ GAROLLA DI BARD, Francesco; N., Russo
On the calculation of atomization energies of organic molecules in the Xα local spin density approximation 1-gen-1988 S., Fliszàr; S., Rioux; J., Andzelm; Minichino, Camilla; E., Vauthier
Model clusters and electronic characteristics of deep-level impurities in silicon 1-gen-1988 N., Russo; M., Toscano; V., Barone; Minichino, Camilla
Conformational behavior of non-fused biheterocycles. Part 11. 2,2'-2,2′-Bi-imidazolyl 1-gen-1988 V., Barone; LELJ GAROLLA DI BARD, Francesco; Minichino, Camilla; N., Russo; M., Toscano
Structural and electronic origin of the conformational behavior of biphenyl-like -diimine ligands. A theoretical study. 1-gen-1988 V., Barone; Minichino, Camilla; S., Fliszar; N., Russo
A Theoretical Characterization of the Structure, Formation Enthalpy and Fluxional Behavior of B2H6 and AlBh6 1-gen-1989 V., Barone; Minichino, Camilla
Nonempirical cluster-model study of the relaxation of (111) surfaces of carbon, silicon and germanium. 1-gen-1990 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 1-gen-1990 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 1-gen-1991 A., Grand; P., Rey; R., Subra; V., Barone; Minichino, Camilla
Classical Trajectory Study of the Molecular Dissociation Dynamics of Formaldehyde: H2CO -> H2 + CO 1-gen-1992 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 1-gen-1992 V., Barone; P., Jensen; Minichino, Camilla
Mostrati risultati da 1 a 20 di 40
Legenda icone

  •  file ad accesso aperto
  •  file disponibili sulla rete interna
  •  file disponibili agli utenti autorizzati
  •  file disponibili solo agli amministratori
  •  file sotto embargo
  •  nessun file disponibile