Sfoglia per Autore
Range-separated double-hybrid density-functional theory applied to periodic systems
2015-01-01 Sansone, Giuseppe; Civalleri, Bartolomeo; Usvyat, Denis; Toulouse, Julien; Sharkas, Kamal; Maschio, Lorenzo
The effect of electron correlation on the adsorption of hydrogen fluoride and water on magnesium fluoride surfaces
2015-01-01 Kanaki, Elisavet; Sansone, Giuseppe; Maschio, Lorenzo; Paulus, Beate
Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach
2016-01-01 Sansone, Giuseppe; Maschio, Lorenzo; Usvyat, Denis; Schütz, Martin; Karttunen, Antti
Ab initio electronic transport and thermoelectric properties of solids from full and range-separated hybrid functionals
2017-01-01 Sansone, Giuseppe; Ferretti, Andrea; Maschio, Lorenzo
The A-center defect in diamond: quantum mechanical characterization through the infrared spectrum
2017-01-01 Salustro, Simone; Sansone, Giuseppe; Zicovich-Wilson, Claudio M; Noël, Yves; Maschio, Lorenzo; Dovesi, Roberto
One-dimensional Phosphorus Nanostructures: from Nanorings to Nanohelices
2017-01-01 Sansone, Giuseppe; Maschio, Lorenzo; Karttunen, Antti J.
On the exfoliation and anisotropic thermal expansion of black phosphorus
2018-01-01 Sansone, Giuseppe; Karttunen, Antti J; Usvyat, Denis; Schütz, Martin; Brandenburg, Jan Gerit; Maschio, Lorenzo
Thermoelectric Properties of p-Type Cu2O, CuO, and NiO from Hybrid Density Functional Theory
2018-01-01 Linnera, Jarno; Sansone, Giuseppe; Maschio, Lorenzo; Karttunen, Antti J.
Looking for sp2carbon atoms in diamond: a quantum mechanical study of interacting vacancies
2018-01-01 Sansone, Giuseppe; Salustro, Simone*; Noël, Yves; Maschio, Lorenzo; Mackrodt, William C.; Dovesi, Roberto
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Range-separated double-hybrid density-functional theory applied to periodic systems | 2015 | Sansone, Giuseppe; Civalleri, Bartolomeo; Usvyat, Denis; Toulouse, Julien; Sharkas, Kamal; Maschio, Lorenzo | |
| The effect of electron correlation on the adsorption of hydrogen fluoride and water on magnesium fluoride surfaces | 2015 | Kanaki, Elisavet; Sansone, Giuseppe; Maschio, Lorenzo; Paulus, Beate | |
| Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach | 2016 | Sansone, Giuseppe; Maschio, Lorenzo; Usvyat, Denis; Schütz, Martin; Karttunen, Antti | |
| Ab initio electronic transport and thermoelectric properties of solids from full and range-separated hybrid functionals | 2017 | Sansone, Giuseppe; Ferretti, Andrea; Maschio, Lorenzo | |
| The A-center defect in diamond: quantum mechanical characterization through the infrared spectrum | 2017 | Salustro, Simone; Sansone, Giuseppe; Zicovich-Wilson, Claudio M; Noël, Yves; Maschio, Lorenzo; Dovesi, Roberto | |
| One-dimensional Phosphorus Nanostructures: from Nanorings to Nanohelices | 2017 | Sansone, Giuseppe; Maschio, Lorenzo; Karttunen, Antti J. | |
| On the exfoliation and anisotropic thermal expansion of black phosphorus | 2018 | Sansone, Giuseppe; Karttunen, Antti J; Usvyat, Denis; Schütz, Martin; Brandenburg, Jan Gerit; Maschio, Lorenzo | |
| Thermoelectric Properties of p-Type Cu2O, CuO, and NiO from Hybrid Density Functional Theory | 2018 | Linnera, Jarno; Sansone, Giuseppe; Maschio, Lorenzo; Karttunen, Antti J. | |
| Looking for sp2carbon atoms in diamond: a quantum mechanical study of interacting vacancies | 2018 | Sansone, Giuseppe; Salustro, Simone*; Noël, Yves; Maschio, Lorenzo; Mackrodt, William C.; Dovesi, Roberto |
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