Spin asymmetric band gap opening in graphene by Fe adsorption von del Castillo, E., Cargnoni, F., Achilli, S., Tantardini, G.F., Trioni, M.I.

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Potential energy surface, bound states, and rotational inelastic cross sections of the He-CH4 system: a theoretical investigation von Calderoni, G, Cargnoni, F, Martinazzo, R, Raimondi, M

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Application of valence-bond techniques to the study of weakly bound complexes. the potential energy surface of the Ne-CH4 system von CARGNONI, F, MELLA, M, RAIMONDI, M

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Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium von BERTINI, L, GHIGNA, P, SCAVINI, M, CARGNONI, F

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Formation and annihilation of a bond defect in silicon: An ab initio quantum-mechanical characterization von Cargnoni, F., Gatti, C., Colombo, L.

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Evolution of energetics and bonding of compact self-interstitial clusters in Si von Bongiorno, A, Colombo, L, Cargnoni, F, Gatti, C, Rosati, M

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Chemical information from the source function von Gatti, Carlo, Cargnoni, Fausto, Bertini, Luca

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Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: A Combined Maximum Entropy Method X-ray Electron Density and Ab Initio Electronic Structure Study von Cargnoni, Fausto, Nishibori, Eiji, Rabiller, Philippe, Bertini, Luca, Snyder, G. Jeffrey, Christensen, Mogens, Gatti, Carlo, Iversen, Bo Brummerstadt

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Direct-space analysis of the Si-Si bonding pattern in the π-bonded chain reconstructed Si(111)(2 × 1) surface von Cargnoni, F., Gatti, C.

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Predicting atomic dopant solvation in helium clusters: The MgHen case von Mella, Massimo, Calderoni, Gabriele, Cargnoni, Fausto

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An ab initio investigation of the He-H2O complex von CALDERONI, G, CARGNONI, F, RAIMONDI, M

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Hydrogen diffusion in crystalline SiO2 von Bongiorno, A., Colombo, L., Cargnoni, F.

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An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4 von Marabello, D., Bianchi, R., Gervasio, G., Cargnoni, F.

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Application of valence-bond techniques to the study of weakly bound complexes. The potential energy surface of the Ne-CH(4) system von Cargnoni, F, Mella, M, Raimondi, M

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Application of valence-bond techniques to the study of weakly bound complexes. The potential energy surface of the Ne–CH 4 system von Cargnoni, F., Mella, M., Raimondi, M.

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The electronic structure of nitrilimine: absence of the carbenic form von Cargnoni, Fausto, Molteni, Giorgio, Cooper, David L, Raimondi, Mario, Ponti, Alessandro

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A theoretical investigation on the chemical bonding of interstitial and vacancy defects in silicon during their migration von Cargnoni, F., Colombo, L., Gatti, C.

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An MO−VB Approach for the Determination of Intermolecular Forces. Theory and Calculations on the He2, He−CH4, and He−H2O Systems von Calderoni, Gabriele, Cargnoni, Fausto, Famulari, Antonino, Raimondi, Mario

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An ab initio investigation of the He–H 2O complex von Calderoni, G, Cargnoni, F, Raimondi, M

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Structure, energetics, clustering and migration of point-defects in silicon von Colombo, L, Tang, M, Rubia, T Diaz de la, Cargnoni, F

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