BAIMA, JACOPO
BAIMA, JACOPO
CHIMICA
Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice
2014-01-01 S. Casassa; J. Baima; A. Mahmoud; B. Kirtman
Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H2and CO2
2014-01-01 J. Baima;R. Macchieraldo;C. Pettinari;S. Casassa
Ab Initio Periodic Simulation of the Spectroscopic and Optical Properties of Novel Porous Graphene Phases
2013-01-01 Marco De La Pierre; Panaghiotis Karamanis; Jacopo Baima; Roberto Orlando; Claude Pouchan; Roberto Dovesi
Beryllium Oxide Nanotubes and their Connection to the Flat Monolayer
2013-01-01 J. Baima;A. Erba;M. Rérat;R. Orlando;R. Dovesi
Direct Piezoelectric Tensor of 3D Periodic Systems through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method
2016-01-01 Baima, Jacopo; Erba, Alessandro; Maschio, Lorenzo; Zicovich-Wilson, Claudio M.; Dovesi, Roberto; Kirtman, Bernard
Electron density analysis of large (molecular and periodic) systems: A parallel implementation
2015-01-01 Casassa, Silvia; Erba, Alessandro; Baima, Jacopo; Orlando, Roberto
Hybrid-functional electronic structure of multilayer graphene
2020-01-01 Campetella, Marco; Baima, Jacopo; Nguyen, Nguyen Minh; Maschio, Lorenzo; Mauri, Francesco; Calandra, Matteo
Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code
2017-01-01 Erba, A.; Baima, J.; Bush, I.; Orlando, R.; Dovesi, R.
Quantum-mechanical condensed matter simulations with CRYSTAL
2018-01-01 Dovesi, Roberto; Erba, Alessandro*; Orlando, Roberto; Zicovich-Wilson, Claudio M.; Civalleri, Bartolomeo; Maschio, Lorenzo; Rérat, Michel; Casassa, Silvia; Baima, Jacopo; Salustro, Simone; Kirtman, Bernard
Raman Spectroscopic Features of the Neutral Vacancy in Diamond from Ab Initio Quantum-mechanical Calculations
2016-01-01 Baima, Jacopo; Zelferino, Alessandro; Olivero, Paolo; Erba, Alessandro; Dovesi, Roberto
Softening the ultra-stiff: Controlled variation of Young’s modulus in single-crystal diamond by ion implantation
2016-01-01 Battiato, A.; Lorusso, M.; Bernardi, E.; Picollo, F.; Bosia, F.; Ugues, D.; Zelferino, A.; Damin, A.; Baima, J.; Pugno, N.M.; Ambrosio, E.P.; Olivero, P.
The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations
2013-01-01 Alessandro Erba; Matteo Ferrabone; Jacopo Baima; Roberto Orlando; Michel Rerat; Roberto Dovesi
Thermodynamics and phonon dispersion of pyrope and grossular silicate garnets from ab initio simulations
2016-01-01 Baima, Jacopo; Ferrabone, Matteo; Orlando, Roberto; Erba, Alessandro; Dovesi, Roberto
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice | 2014 | S. Casassa; J. Baima; A. Mahmoud; B. Kirtman | |
| Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H2and CO2 | 2014 | J. Baima;R. Macchieraldo;C. Pettinari;S. Casassa | |
| Ab Initio Periodic Simulation of the Spectroscopic and Optical Properties of Novel Porous Graphene Phases | 2013 | Marco De La Pierre; Panaghiotis Karamanis; Jacopo Baima; Roberto Orlando; Claude Pouchan; Roberto Dovesi | |
| Beryllium Oxide Nanotubes and their Connection to the Flat Monolayer | 2013 | J. Baima;A. Erba;M. Rérat;R. Orlando;R. Dovesi | |
| Direct Piezoelectric Tensor of 3D Periodic Systems through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method | 2016 | Baima, Jacopo; Erba, Alessandro; Maschio, Lorenzo; Zicovich-Wilson, Claudio M.; Dovesi, Roberto; Kirtman, Bernard | |
| Electron density analysis of large (molecular and periodic) systems: A parallel implementation | 2015 | Casassa, Silvia; Erba, Alessandro; Baima, Jacopo; Orlando, Roberto | |
| Hybrid-functional electronic structure of multilayer graphene | 2020 | Campetella, Marco; Baima, Jacopo; Nguyen, Nguyen Minh; Maschio, Lorenzo; Mauri, Francesco; Calandra, Matteo | |
| Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code | 2017 | Erba, A.; Baima, J.; Bush, I.; Orlando, R.; Dovesi, R. | |
| Quantum-mechanical condensed matter simulations with CRYSTAL | 2018 | Dovesi, Roberto; Erba, Alessandro*; Orlando, Roberto; Zicovich-Wilson, Claudio M.; Civalleri, Bartolomeo; Maschio, Lorenzo; Rérat, Michel; Casassa, Silvia; Baima, Jacopo; Salustro, Simone; Kirtman, Bernard | |
| Raman Spectroscopic Features of the Neutral Vacancy in Diamond from Ab Initio Quantum-mechanical Calculations | 2016 | Baima, Jacopo; Zelferino, Alessandro; Olivero, Paolo; Erba, Alessandro; Dovesi, Roberto | |
| Softening the ultra-stiff: Controlled variation of Young’s modulus in single-crystal diamond by ion implantation | 2016 | Battiato, A.; Lorusso, M.; Bernardi, E.; Picollo, F.; Bosia, F.; Ugues, D.; Zelferino, A.; Damin, A.; Baima, J.; Pugno, N.M.; Ambrosio, E.P.; Olivero, P. | |
| The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations | 2013 | Alessandro Erba; Matteo Ferrabone; Jacopo Baima; Roberto Orlando; Michel Rerat; Roberto Dovesi | |
| Thermodynamics and phonon dispersion of pyrope and grossular silicate garnets from ab initio simulations | 2016 | Baima, Jacopo; Ferrabone, Matteo; Orlando, Roberto; Erba, Alessandro; Dovesi, Roberto |