BAIMA, JACOPO

BAIMA, JACOPO  

CHIMICA  

Mostra records
Risultati 1 - 13 di 13 (tempo di esecuzione: 0.017 secondi).
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.
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
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