Journal of molecular structure. Theochem

Label

• Journal of molecular structure. Theochem (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Rotationally inelastic collisions of LiH with He: a quasi-classical dynamics study (Articolo in rivista) (Prodotto della ricerca)
• Density-functional study of Pt13 and Pt55 cuboctahedral clusters (Articolo in rivista) (Prodotto della ricerca)
• Density Functional Calculations on Small Platinum Clusters: Pt_nq (n = 1-4; q = 0,+-1) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Local properties of Pt/Fe nanoclusters from EHT calculations (Articolo in rivista) (Prodotto della ricerca)
• Structural and electronic properties of Pt/Fe nanoclusters from EHT calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Enthalpies of formation from theoretical methods: a new approach based on density functional theory plus semi-empirical corrections (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electronic structure and bulk modulus of silicon dicarbide: a glitter phase (Articolo in rivista) (Prodotto della ricerca)
• A study of the MBPT correlation corrections within the polarizable continuum model for solvation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Perturbation-response theory as a basis for the continuum models of solvation. Inclusion of the solute polarization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The electronic properties of a homoleptic bisphosphine Cu(I) complex A joint theoretical and experimental insight (Articolo in rivista) (Prodotto della ricerca)
• Scattering Matrix in Reactive collision theory: from resonances to rate constants (Articolo in rivista) (Prodotto della ricerca)
• Ab initio calculations of isotropic hyperfine coupling constants in beta-ketoenolyl radicals (Articolo in rivista) (Prodotto della ricerca)
• Theoretical studies of oxygen atom transfer from flavin to electron-rich substrates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A theoretical study of the catalytic properties of Pt/Fe nanoclusters (Articolo in rivista) (Prodotto della ricerca)
• Electronic structure of Li3 (Articolo in rivista) (Prodotto della ricerca)

Alternative label

• J. mol. struct., Theochem (literal)
• Journal of molecular structure. (literal)
• Theochem (literal)

Language

• mul (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#issn

• 0166-1280 (literal)

Preferred label

• Journal of molecular structure. Theochem (literal)

Publisher

• Elsevier Tokyo ; NLD (literal)

Incoming links:

Rivista

• Electronic structure and bulk modulus of silicon dicarbide: a glitter phase (Articolo in rivista) (Prodotto della ricerca)
• Theoretical studies of oxygen atom transfer from flavin to electron-rich substrates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Scattering Matrix in Reactive collision theory: from resonances to rate constants (Articolo in rivista) (Prodotto della ricerca)
• Electronic structure of Li3 (Articolo in rivista) (Prodotto della ricerca)
• A theoretical study of the catalytic properties of Pt/Fe nanoclusters (Articolo in rivista) (Prodotto della ricerca)
• The electronic properties of a homoleptic bisphosphine Cu(I) complex A joint theoretical and experimental insight (Articolo in rivista) (Prodotto della ricerca)
• Enthalpies of formation from theoretical methods: a new approach based on density functional theory plus semi-empirical corrections (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A study of the MBPT correlation corrections within the polarizable continuum model for solvation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Perturbation-response theory as a basis for the continuum models of solvation. Inclusion of the solute polarization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Density-functional study of Pt13 and Pt55 cuboctahedral clusters (Articolo in rivista) (Prodotto della ricerca)
• Density Functional Calculations on Small Platinum Clusters: Pt_nq (n = 1-4; q = 0,+-1) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Local properties of Pt/Fe nanoclusters from EHT calculations (Articolo in rivista) (Prodotto della ricerca)
• Structural and electronic properties of Pt/Fe nanoclusters from EHT calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Rotationally inelastic collisions of LiH with He: a quasi-classical dynamics study (Articolo in rivista) (Prodotto della ricerca)
• Ab initio calculations of isotropic hyperfine coupling constants in beta-ketoenolyl radicals (Articolo in rivista) (Prodotto della ricerca)