Sfoglia per Autore
Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals
2016-01-01 Cutini, Michele; Civalleri, Bartolomeo; Corno, Marta; Orlando, Roberto; Brandenburg, Jan Gerit; Maschio, Lorenzo; Ugliengo, Piero
Method dependence of proline ring flexibility in the poly-L-proline type II polymer
2017-01-01 Cutini, Michele; Corno, Marta; Ugliengo, Piero
Assessment of climate change effects on mountain ecosystems through a cross-site analysis in the Alps and Apennines
2018-01-01 Rogora, M.*; Frate, L.; Carranza, M.L.; Freppaz, M.; Stanisci, A.; Bertani, I.; Bottarin, R.; Brambilla, A.; Canullo, R.; Carbognani, M.; Cerrato, C.; Chelli, S.; Cremonese, E.; Cutini, M.; Di Musciano, M.; Erschbamer, B.; Godone, D.; Iocchi, M.; Isabellon, M.; Magnani, A.; Mazzola, L.; Morra di Cella, U.; Pauli, H.; Petey, M.; Petriccione, B.; Porro, F.; Psenner, R.; Rossetti, G.; Scotti, A.; Sommaruga, R.; Tappeiner, U.; Theurillat, J.-P.; Tomaselli, M.; Viglietti, D.; Viterbi, R.; Vittoz, P.; Winkler, M.; Matteucci, G.
Evidence of Mixed-Ligand Complexes in Cu−CHA by Reaction of Cu Nitrates with NO/NH3 at Low Temperature
2019-01-01 Negri C.; Borfecchia E.; Cutini M.; Lomachenko K.A.; Janssens T.V.W.; Berlier G.; Bordiga S.
Cost-Effective Quantum Mechanical Approach for Predicting Thermodynamic and Mechanical Stability of Pure-Silica Zeolites
2019-01-01 Cutini, Michele; Civalleri, Bartolomeo; Ugliengo, Piero*
How does collagen adsorb on hydroxyapatite? Insights from Ab initio simulations on a polyproline type II model
2019-01-01 Cutini, Michele; Corno, Marta; Costa, Dominique; Ugliengo, Piero*
Decoding Collagen Triple Helix Stability by Means of Hybrid DFT Simulations
2019-01-01 Cutini M.; Bocus M.; Ugliengo P.
Elucidating the Nature of Interactions in Collagen Triple-Helix Wrapping
2019-01-01 Cutini M.; Pantaleone S.; Ugliengo P.
Exfoliation Energy of Layered Materials by DFT-D: Beware of Dispersion!
2020-01-01 Cutini M.; Maschio L.; Ugliengo P.
Structure and Reactivity of Oxygen-Bridged Diamino Dicopper(II) Complexes in Cu-Ion-Exchanged Chabazite Catalyst for NH3-Mediated Selective Catalytic Reduction
2020-01-01 Negri C.; Selleri T.; Borfecchia E.; Martini A.; Lomachenko K.A.; Janssens T.V.W.; Cutini M.; Bordiga S.; Berlier G.
Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region
2021-01-01 Cutini, Michele; Ugliengo, Piero
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals | 2016 | Cutini, Michele; Civalleri, Bartolomeo; Corno, Marta; Orlando, Roberto; Brandenburg, Jan Gerit; Maschio, Lorenzo; Ugliengo, Piero | |
| Method dependence of proline ring flexibility in the poly-L-proline type II polymer | 2017 | Cutini, Michele; Corno, Marta; Ugliengo, Piero | |
| Assessment of climate change effects on mountain ecosystems through a cross-site analysis in the Alps and Apennines | 2018 | Rogora, M.*; Frate, L.; Carranza, M.L.; Freppaz, M.; Stanisci, A.; Bertani, I.; Bottarin, R.; Brambilla, A.; Canullo, R.; Carbognani, M.; Cerrato, C.; Chelli, S.; Cremonese, E.; Cutini, M.; Di Musciano, M.; Erschbamer, B.; Godone, D.; Iocchi, M.; Isabellon, M.; Magnani, A.; Mazzola, L.; Morra di Cella, U.; Pauli, H.; Petey, M.; Petriccione, B.; Porro, F.; Psenner, R.; Rossetti, G.; Scotti, A.; Sommaruga, R.; Tappeiner, U.; Theurillat, J.-P.; Tomaselli, M.; Viglietti, D.; Viterbi, R.; Vittoz, P.; Winkler, M.; Matteucci, G. | |
| Evidence of Mixed-Ligand Complexes in Cu−CHA by Reaction of Cu Nitrates with NO/NH3 at Low Temperature | 2019 | Negri C.; Borfecchia E.; Cutini M.; Lomachenko K.A.; Janssens T.V.W.; Berlier G.; Bordiga S. | |
| Cost-Effective Quantum Mechanical Approach for Predicting Thermodynamic and Mechanical Stability of Pure-Silica Zeolites | 2019 | Cutini, Michele; Civalleri, Bartolomeo; Ugliengo, Piero* | |
| How does collagen adsorb on hydroxyapatite? Insights from Ab initio simulations on a polyproline type II model | 2019 | Cutini, Michele; Corno, Marta; Costa, Dominique; Ugliengo, Piero* | |
| Decoding Collagen Triple Helix Stability by Means of Hybrid DFT Simulations | 2019 | Cutini M.; Bocus M.; Ugliengo P. | |
| Elucidating the Nature of Interactions in Collagen Triple-Helix Wrapping | 2019 | Cutini M.; Pantaleone S.; Ugliengo P. | |
| Exfoliation Energy of Layered Materials by DFT-D: Beware of Dispersion! | 2020 | Cutini M.; Maschio L.; Ugliengo P. | |
| Structure and Reactivity of Oxygen-Bridged Diamino Dicopper(II) Complexes in Cu-Ion-Exchanged Chabazite Catalyst for NH3-Mediated Selective Catalytic Reduction | 2020 | Negri C.; Selleri T.; Borfecchia E.; Martini A.; Lomachenko K.A.; Janssens T.V.W.; Cutini M.; Bordiga S.; Berlier G. | |
| Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region | 2021 | Cutini, Michele; Ugliengo, Piero |
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