USVYAT, DENIS
USVYAT, DENIS
CHIMICA
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Risultati 1 - 5 di 5 (tempo di esecuzione: 0.011 secondi).
A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF Approaches
2024-01-01 Bonometti, Laura; Usvyat, Denis; Maschio, Lorenzo
Evolutionary Algorithm-based Crystal Structure Prediction for Copper(I) Fluoride
2019-01-01 Kuklin, Mikhail S; Maschio, Lorenzo; Usvyat, Denis; Kraus, Florian; Karttunen, Antti J
Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function
2020-01-01 Lin H.-H.; Maschio L.; Kats D.; Usvyat D.; Heine T.
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
Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al2O3(0001) as a test case
2022-01-01 Mullan, Thomas; Maschio, Lorenzo; Saalfrank, Peter; Usvyat, Denis
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF Approaches | 2024 | Bonometti, Laura; Usvyat, Denis; Maschio, Lorenzo | |
| Evolutionary Algorithm-based Crystal Structure Prediction for Copper(I) Fluoride | 2019 | Kuklin, Mikhail S; Maschio, Lorenzo; Usvyat, Denis; Kraus, Florian; Karttunen, Antti J | |
| Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function | 2020 | Lin H.-H.; Maschio L.; Kats D.; Usvyat D.; Heine T. | |
| 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 | |
| Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al2O3(0001) as a test case | 2022 | Mullan, Thomas; Maschio, Lorenzo; Saalfrank, Peter; Usvyat, Denis |