DONA', Lorenzo
DONA', Lorenzo
CHIMICA
A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid–electrolyte for battery applications
2024-01-01 Marana, Naiara Leticia; Silveri, Fabrizio; de Oliveira Gomes, Eduardo; Donà, Lorenzo; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria
A Fresh Look at a Well-Known Solid: Structure, Vibrational Spectra, and Formation Energy of NaNH2
2023-01-01 Bonometti, L; Kraus, F; Graubner, T; Karttunen, AJ; Civalleri, B; Dona, Lorenzo; Maschio, L
A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal-Organic Framework Material for the Detection of Volatile Acetone
2023-01-01 Moeslein, AF; Gutierrez, M; Titov, K; Dona', L; Civalleri, B; Frogley, MD; Cinque, G; Rudic, S; Tan, JC
Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL
2025-01-01 Ambrogio, Giacomo; Donà, Lorenzo; Desmarais, Jacques K.; Ribaldone, Chiara; Casassa, Silvia; Spiga, Filippo; Civalleri, Bartolomeo; Erba, Alessandro
Application of low cost ab-initio methods to model solids and surfaces
2022-12-19
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs
2025-01-01 William P. Wood; Mihails Arhangelskis; ErikaBartůňková; Carlos E. S. Bernardes; A. Daniel Boese; Doris E. Braun; Dejan-Krešimir Bučar; Helena Butkiewicz; Ctirad Červinka; Bartolomeo Civalleri; Nicolas Couvrat; Erikde Ronde; Lorenzo Donà; Martin Dračínský; Dzmitry Firaha; Michal Fulem; Reynaldo GeroniaII; Natalia Goncharova; Marlena Gryl; Johannes Hoja; Anna Hoser; Joanna Krzeszczakowska; Alexander List; Ivor Lončarić; Bruno Mladineo; Jonas Nyman; Edgar Olehovics; Mattia Raimondo; Ivo B. Rietveld; RuteI. S. Rodrigues; Luca Russo; Matteo Salvalaglio; Mafalda Sarraguça; Jiří S ̌najdr; Vojtěch S ̌ tejfa; Guangxu Sun; Paul Tinnemans; Pamela S. Whitfield; Zhuocen Yang; Yizu Zhang; Sarah L.Price
Carbon Dioxide -Sulphur Hexafluoride Adsorption and Separation with Zirconium Metal-Organic Frameworks Bearing Basic and Fluorinated Linkers
2026-01-01 Giacomo Provinciali; Giulio Bicchierai; Ferdinando Costantino; Cristiano Zuccaccia; Letizia Trovarelli; Lorenzo Donà; Bartolomeo Civalleri; Francesca Bonino; Francesca Rosso; Giuliano Giambastiani; Giulia Tuci; Andrea; Rossin
Carbon Tetrafluoride - Sulphur Hexafluoride Adsorption and Separation with Zirconium Metal-Organic Frameworks Decorated with Fluorinated Thiazolium Salts
2026-01-01 Giacomo; Provinciali; Giulio; Bicchierai; Zhi; Fang; Tongan; Yan; Lorenzo; Donà; Bartolomeo; Civalleri; Hongliang; Huang; Giuliano; Giambastiani; Giulia; Tuci; Andrea; Rossin
Cost-effective composite methods for large-scale solid-state calculations
2020-01-01 Dona' L.; Brandenburg J.G.; Bush I.J.; Civalleri B.
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
2023-01-01 Erba A.; Desmarais J.K.; Casassa S.; Civalleri B.; Donà Lorenzo; Bush I.J.; Searle B.; Maschio L.; Edith-Daga L.; Cossard A.; Ribaldone C.; Ascrizzi E.; Marana N.L.; Flament J.-P.; Kirtman B.
Defect Engineering in Metal-Organic Framework Nanocrystals: Implications for Mechanical Properties and Performance
2022-01-01 Möslein, Annika F; Donà, Lorenzo; Civalleri, Bartolomeo; Tan, Jin-Chong
Elucidating the Drug Release from Metal-Organic Framework Nanocomposites via in Situ Synchrotron Microspectroscopy and Theoretical Modeling
2020-01-01 Souza B.E.; Dona' L.; Titov K.; Bruzzese P.; Zeng Z.; Zhang Y.; Babal A.S.; Moslein A.F.; Frogley M.D.; Wolna M.; Cinque G.; Civalleri B.; Tan J.-C.
Experimental Evidence for the Solid-State Nitrite-Ligand Photoisomerization Mechanism in Nickel (II) Square-Planar Complexes
2025-01-01 Krystyna A.Deresz; Artem Mikhailov; Joanna Jankowska; Lorenzo Donà; Bartolomeo Civalleri; Adam Krówczyński; Radosław Kamiński; Dominik Schaniel; Katarzyna N. Jarzembska
Extending and assessing composite electronic structure methods to the solid state
2019-01-01 Dona L.; Brandenburg J.G.; Civalleri B.
Impact of Pressure and Temperature on the Broadband Dielectric Response of the HKUST-1 Metal-Organic Framework
2019-01-01 Babal A.S.; Dona L.; Ryder M.R.; Titov K.; Chaudhari A.K.; Zeng Z.; Kelley C.S.; Frogley M.D.; Cinque G.; Civalleri B.; Tan J.-C.
Metal-organic frameworks properties from hybrid density functional approximations
2022-01-01 Donà, Lorenzo; Brandenburg, Jan Gerit; Civalleri, Bartolomeo
Noncontact triboelectric nanogenerators based on fluorinated metal–organic frameworks for rotational energy harvesting and sensing
2025-01-01 Jiahao Ye; Gianfelice Cinque; Lorenzo Donà; Jin-Chong Tan
On the Structure and Redox Behavior of Ni and Cu Single Atoms Supported on Carbon Nitride
2026-01-01 Giovanni Colonnello; Ksenija Maver; Arianna Actis; Gaia Grando; Giacomo Filippini; Tiziano Montini; Michele Melchionna; Paolo Fornasiero; Lucia Nasi; Iztok Arčon; Lorenzo Donà; Bartolomeo Civalleri; Enrico Salvadori; Mario Chiesa
Selective Carbon Dioxide versus Nitrous Oxide Adsorption in Cerium(IV) Bithiazole and Bipyridyl Metal-Organic Frameworks
2024-01-01 Pugliesi M.; Cavallo M.; Atzori C.; Garetto B.; Borfecchia E.; Dona' L.; Civalleri B.; Tuci G.; Giambastiani G.; Galli S.; Bonino F.; Rossin A.
Spin–Lattice Relaxation and Spin–Phonon Coupling of ns1 Metal Ions at the Surface
2024-01-01 Bruzzese, Paolo Cleto; Liao, Yu-Kai; Donà, Lorenzo; Civalleri, Bartolomeo; Salvadori, Enrico; Chiesa, Mario
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid–electrolyte for battery applications | 2024 | Marana, Naiara Leticia; Silveri, Fabrizio; de Oliveira Gomes, Eduardo; Donà, Lorenzo; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria | |
| A Fresh Look at a Well-Known Solid: Structure, Vibrational Spectra, and Formation Energy of NaNH2 | 2023 | Bonometti, L; Kraus, F; Graubner, T; Karttunen, AJ; Civalleri, B; Dona, Lorenzo; Maschio, L | |
| A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal-Organic Framework Material for the Detection of Volatile Acetone | 2023 | Moeslein, AF; Gutierrez, M; Titov, K; Dona', L; Civalleri, B; Frogley, MD; Cinque, G; Rudic, S; Tan, JC | |
| Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL | 2025 | Ambrogio, Giacomo; Donà, Lorenzo; Desmarais, Jacques K.; Ribaldone, Chiara; Casassa, Silvia; Spiga, Filippo; Civalleri, Bartolomeo; Erba, Alessandro | |
| Application of low cost ab-initio methods to model solids and surfaces | 2022 | - | |
| BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs | 2025 | William P. Wood; Mihails Arhangelskis; ErikaBartůňková; Carlos E. S. Bernardes; A. Daniel Boese; Doris E. Braun; Dejan-Krešimir Bučar; Helena Butkiewicz; Ctirad Červinka; Bartolomeo Civalleri; Nicolas Couvrat; Erikde Ronde; Lorenzo Donà; Martin Dračínský; Dzmitry Firaha; Michal Fulem; Reynaldo GeroniaII; Natalia Goncharova; Marlena Gryl; Johannes Hoja; Anna Hoser; Joanna Krzeszczakowska; Alexander List; Ivor Lončarić; Bruno Mladineo; Jonas Nyman; Edgar Olehovics; Mattia Raimondo; Ivo B. Rietveld; RuteI. S. Rodrigues; Luca Russo; Matteo Salvalaglio; Mafalda Sarraguça; Jiří S ̌najdr; Vojtěch S ̌ tejfa; Guangxu Sun; Paul Tinnemans; Pamela S. Whitfield; Zhuocen Yang; Yizu Zhang; Sarah L.Price | |
| Carbon Dioxide -Sulphur Hexafluoride Adsorption and Separation with Zirconium Metal-Organic Frameworks Bearing Basic and Fluorinated Linkers | 2026 | Giacomo Provinciali; Giulio Bicchierai; Ferdinando Costantino; Cristiano Zuccaccia; Letizia Trovarelli; Lorenzo Donà; Bartolomeo Civalleri; Francesca Bonino; Francesca Rosso; Giuliano Giambastiani; Giulia Tuci; Andrea; Rossin | |
| Carbon Tetrafluoride - Sulphur Hexafluoride Adsorption and Separation with Zirconium Metal-Organic Frameworks Decorated with Fluorinated Thiazolium Salts | 2026 | Giacomo; Provinciali; Giulio; Bicchierai; Zhi; Fang; Tongan; Yan; Lorenzo; Donà; Bartolomeo; Civalleri; Hongliang; Huang; Giuliano; Giambastiani; Giulia; Tuci; Andrea; Rossin | |
| Cost-effective composite methods for large-scale solid-state calculations | 2020 | Dona' L.; Brandenburg J.G.; Bush I.J.; Civalleri B. | |
| CRYSTAL23: A Program for Computational Solid State Physics and Chemistry | 2023 | Erba A.; Desmarais J.K.; Casassa S.; Civalleri B.; Donà Lorenzo; Bush I.J.; Searle B.; Maschio L.; Edith-Daga L.; Cossard A.; Ribaldone C.; Ascrizzi E.; Marana N.L.; Flament J.-P.; Kirtman B. | |
| Defect Engineering in Metal-Organic Framework Nanocrystals: Implications for Mechanical Properties and Performance | 2022 | Möslein, Annika F; Donà, Lorenzo; Civalleri, Bartolomeo; Tan, Jin-Chong | |
| Elucidating the Drug Release from Metal-Organic Framework Nanocomposites via in Situ Synchrotron Microspectroscopy and Theoretical Modeling | 2020 | Souza B.E.; Dona' L.; Titov K.; Bruzzese P.; Zeng Z.; Zhang Y.; Babal A.S.; Moslein A.F.; Frogley M.D.; Wolna M.; Cinque G.; Civalleri B.; Tan J.-C. | |
| Experimental Evidence for the Solid-State Nitrite-Ligand Photoisomerization Mechanism in Nickel (II) Square-Planar Complexes | 2025 | Krystyna A.Deresz; Artem Mikhailov; Joanna Jankowska; Lorenzo Donà; Bartolomeo Civalleri; Adam Krówczyński; Radosław Kamiński; Dominik Schaniel; Katarzyna N. Jarzembska | |
| Extending and assessing composite electronic structure methods to the solid state | 2019 | Dona L.; Brandenburg J.G.; Civalleri B. | |
| Impact of Pressure and Temperature on the Broadband Dielectric Response of the HKUST-1 Metal-Organic Framework | 2019 | Babal A.S.; Dona L.; Ryder M.R.; Titov K.; Chaudhari A.K.; Zeng Z.; Kelley C.S.; Frogley M.D.; Cinque G.; Civalleri B.; Tan J.-C. | |
| Metal-organic frameworks properties from hybrid density functional approximations | 2022 | Donà, Lorenzo; Brandenburg, Jan Gerit; Civalleri, Bartolomeo | |
| Noncontact triboelectric nanogenerators based on fluorinated metal–organic frameworks for rotational energy harvesting and sensing | 2025 | Jiahao Ye; Gianfelice Cinque; Lorenzo Donà; Jin-Chong Tan | |
| On the Structure and Redox Behavior of Ni and Cu Single Atoms Supported on Carbon Nitride | 2026 | Giovanni Colonnello; Ksenija Maver; Arianna Actis; Gaia Grando; Giacomo Filippini; Tiziano Montini; Michele Melchionna; Paolo Fornasiero; Lucia Nasi; Iztok Arčon; Lorenzo Donà; Bartolomeo Civalleri; Enrico Salvadori; Mario Chiesa | |
| Selective Carbon Dioxide versus Nitrous Oxide Adsorption in Cerium(IV) Bithiazole and Bipyridyl Metal-Organic Frameworks | 2024 | Pugliesi M.; Cavallo M.; Atzori C.; Garetto B.; Borfecchia E.; Dona' L.; Civalleri B.; Tuci G.; Giambastiani G.; Galli S.; Bonino F.; Rossin A. | |
| Spin–Lattice Relaxation and Spin–Phonon Coupling of ns1 Metal Ions at the Surface | 2024 | Bruzzese, Paolo Cleto; Liao, Yu-Kai; Donà, Lorenzo; Civalleri, Bartolomeo; Salvadori, Enrico; Chiesa, Mario |