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JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM
Rivista
Codice:
E092808
ISSN:
0166-1280
Dati Generali
Dati Generali
Pubblicazioni (14)
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A DENSITY FUNCTIONAL-STUDY OF THE ALUMINUM DIMER
Articolo
A METHOD FOR CORRECTING EMPIRICAL POTENTIALS - APPLICATION TO WATER MOLECULE
Articolo
A density functional study of the aluminium dimer
Articolo
A theoretical study of the solvent effect on dissociation reactions. The role of the first solvation shell
Articolo
Extention of the HF-CC Method to Weak and Very Weak Interactions
Articolo
From Hartree-Fock and Heitler-London to Chemical Orbitals
Articolo
Merging Two Traditional Methods: The Hartree-Fock and the Heitler-Londonand Adding Density Functional Correlation Corrections.
Articolo
Model studies for predicting the diastereoselectivity in the condensation of aldehydes with zinc and copper complexes of amino acid derivatives. Part 1. Analysis and realization of the models
Articolo
Model studies for predicting the diastereoselectivity in the condensation of aldehydes with zinc and copper complexes of amino acid derivatives. Part 2. Application of the models and analysis of results
Articolo
Molecular dynamics study of the interlayer water in phyllosilicates
Articolo
Revision and extension of the HF-CC method
Articolo
Study of Electronic Sstructure of Molecules. XXXIII. Decomposition of Correlation energy into atomic, Covalent, Ionic, and van der Waals Components
Articolo
Study of the electronic structure of molecules. XXIII. Decomposition of correlation energy into atomic, covalent, ionic and van der Waals components
Articolo
The unusual reactivity of 9-oxa-4-thia-tetracyclo(5.5.1.02,7.010,13)tridecan-12-one-3-spiro-1'-cyclopentan-3'-ones: a molecular modeling study
Articolo
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