Bartolomeo Civalleri (B Civalleri)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 22

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

RSC advances

Journal of computational chemistry

University of Turin

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Turin

Italy

Associate Professor :: Department of Chemistry

Publications

Paolo Cleto Bruzzese, Yu-Kai Liao, Lorenzo Donà, Bartolomeo Civalleri, Enrico Salvadori, Mario Chiesa
Spin-Lattice Relaxation and Spin-Phonon Coupling of n s 1 Metal Ions at the Surface. The journal of physical chemistry letters 15 (28) (2024)
Stefano Pantaleone, Elisa Albanese, Lorenzo Donà, Marta Corno, Marcello Baricco, Bartolomeo Civalleri
Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH 4 ) 2 . RSC advances 14 (9) (2024)
Stefano Pantaleone, Elisa Albanese, Lorenzo Donà, Marta Corno, Marcello Baricco, Bartolomeo Civalleri
Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH 4 ) 2 . RSC advances 14 (9) (2024)
Paolo Cleto Bruzzese, Yu-Kai Liao, Lorenzo Donà, Bartolomeo Civalleri, Enrico Salvadori, Mario Chiesa
Spin-Lattice Relaxation and Spin-Phonon Coupling of n s 1 Metal Ions at the Surface. The journal of physical chemistry letters (2024)
Jonas Gosch, Diletta Morelli Venturi, Erik Svensson Grape, Cesare Atzori, Lorenzo Donà, Felix Steinke, Tobias Otto, Tim Tjardts, Bartolomeo Civalleri, Kirill A Lomachenko, A Ken Inge, Ferdinando Costantino, Norbert Stock
Synthesis, Crystal Structure, and Photocatalytic Properties of Two Isoreticular Ce(IV)-MOFs with an Infinite Rod-Shaped Inorganic Building Unit. Inorganic chemistry (2023)
Alessandro Erba, Jacques K Desmarais, Silvia Maria Casassa, Bartolomeo Civalleri, Lorenzo Donà, Ian J Bush, Barry Searle, Lorenzo Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, Eleonora Ascrizzi, Naiara Leticia Marana, Jean-Pierre Flament, Bernard Kirtman
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry. Journal of chemical theory and computation (2022)
Paolo Cleto Bruzzese, Enrico Salvadori, Bartolomeo Civalleri, Stefan Jäger, Martin Hartmann, Andreas Pöppl, Mario Chiesa
The Structure of Monomeric Hydroxo-Cu II Species in Cu-CHA. A Quantitative Assessment. Journal of the American Chemical Society 144 (29) (2022)
Alessandro Erba, Jacques K Desmarais, Silvia Maria Casassa, Bartolomeo Civalleri, Lorenzo Donà, Ian J Bush, Barry Searle, Lorenzo Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, Eleonora Ascrizzi, Naiara Leticia Marana, Jean-Pierre Flament, Bernard Kirtman
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry. Journal of chemical theory and computation (2022)
Srinidhi Mula, Lorenzo Donà, Bartolomeo Civalleri, Monique Ann van der Veen
Structure-Property Relationship of Piezoelectric Properties in Zeolitic Imidazolate Frameworks: A Computational Study. ACS applied materials & interfaces 14 (45) (2022)
Annika F Möslein, Lorenzo Donà, Bartolomeo Civalleri, Jin-Chong Tan
Defect Engineering in Metal-Organic Framework Nanocrystals: Implications for Mechanical Properties and Performance. ACS applied nano materials 5 (5) (2022)
Paolo Cleto Bruzzese, Enrico Salvadori, Stefan Jäger, Martin Hartmann, Bartolomeo Civalleri, Andreas Pöppl, Mario Chiesa
17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites. Nature communications 12 (1) (2021)
Dario Vassetti, Bartolomeo Civalleri, Frédéric Labat
Analytical calculation of the solvent-accessible surface area and its nuclear gradients by stereographic projection: A general approach for molecules, polymers, nanotubes, helices, and surfaces. Journal of computational chemistry 41 (15) (2020)
Barbara E Souza, Lorenzo Donà, Kirill Titov, Paolo Bruzzese, Zhixin Zeng, Yang Zhang, Arun S Babal, Annika F Möslein, Mark D Frogley, Magda Wolna, Gianfelice Cinque, Bartolomeo Civalleri, Jin-Chong Tan
Elucidating the Drug Release from Metal-Organic Framework Nanocomposites via In Situ Synchrotron Microspectroscopy and Theoretical Modeling. ACS applied materials & interfaces 12 (4) (2020)
Dominik Sidorczuk, Marcin Kozanecki, Bartolomeo Civalleri, Katarzyna Pernal, Jolanta Prywer
Structural and Optical Properties of Struvite. Elucidating Structure of Infrared Spectrum in High Frequency Range. The journal of physical chemistry. A 124 (42) (2020)
Loredana Edith Daga, Bartolomeo Civalleri, Lorenzo Maschio
Gaussian Basis Sets for Crystalline Solids: All-Purpose Basis Set Libraries vs System-Specific Optimizations. Journal of chemical theory and computation 16 (4) (2020)
Giorgia Beata, Gianpaolo Perego, Bartolomeo Civalleri
CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids. Journal of computational chemistry 40 (26) (2019)
Lorenzo Donà, Jan Gerit Brandenburg, Bartolomeo Civalleri
Extending and assessing composite electronic structure methods to the solid state. The Journal of chemical physics 151 (12) (2019)
Asmus Ougaard Dohn, Daniele Selli, Gianluca Fazio, Lorenzo Ferraro, Jens Jørgen Mortensen, Bartolomeo Civalleri, Cristiana Di Valentin
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard⁻Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles. Molecules (Basel, Switzerland) 23 (11) (2018)
Luca Brugnoli, Anna Maria Ferrari, Bartolomeo Civalleri, Alfonso Pedone, Maria Cristina Menziani
Assessment of Density Functional Approximations for Highly Correlated Oxides: The Case of CeO2 and Ce2O3. Journal of chemical theory and computation 14 (9) (2018)
Matthew R Ryder, Lorenzo Donà, Jenny G Vitillo, Bartolomeo Civalleri
Understanding and Controlling the Dielectric Response of Metal-Organic Frameworks. ChemPlusChem 83 (4) (2018)
Matthew R Ryder, Zhixin Zeng, Kirill Titov, Yueting Sun, E M Mahdi, Irina Flyagina, Thomas Douglas Bennett, Bartolomeo Civalleri, Chris S Kelley, Mark D Frogley, Gianfelice Cinque, Jin-Chong Tan
Dielectric Properties of Zeolitic Imidazolate Frameworks in the Broad-Band Infrared Regime. The journal of physical chemistry letters 9 (10) (2018)
Frédéric Labat, Bartolomeo Civalleri, Roberto Dovesi
Implicit Solvation Using a Generalized Finite-Difference Approach in CRYSTAL: Implementation and Results for Molecules, Polymers, and Surfaces. Journal of chemical theory and computation 14 (11) (2018)

Bartolomeo Civalleri.css-eqlu8i{font-size:small;padding-left:4px;} (B Civalleri)

Publication Activity (10 Years)

Top Topics

Top Venues

Bartolomeo Civalleri (B Civalleri)