CASASSA, Silvia Maria

CASASSA, Silvia Maria  

CHIMICA  

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Risultati 1 - 20 di 82 (tempo di esecuzione: 0.028 secondi).
Titolo Data di pubblicazione Autore(i) File
A local MP2 periodic study of crystalline Argon 2008 S. Casassa; M. Halo; L. Maschio
A local-MP2 approach to the ab initio study of electron correlation in crystals and to the simulation of vibrational spectra: the case of Ice XI 2009 C. Pisani; L. Maschio; S. Casassa; M. Halo; A. Erba
A post-Hartree–Fock study of pressure-induced phase transitions in solid nitrogen: The case of the α, γ, and ε low-pressure phases 2011 A. Erba; L. Maschio; S. Salustro; S. Casassa
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 Modeling of MultiWall: A General Algorithm First Applied to Carbon Nanotubes 2021 Marana N.L.; Noel Y.; Sambrano J.R.; Ribaldone C.; Casassa S.
Ab initio simulation of oxygen vacancy bistability in pure and Ge-doped alpha-quartz. 2002 M. Busso; S. Casassa; C. Pisani; V. Sulimov
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 1998 BUSSOLIN G; CASASSA S; PISANI C; P. UGLIENGO
Ab-iniito study of HCl and HF interaction with crystalline Ice 1998 G. Bussolin; S. Casassa; C. Pisani; P. Ugliengo
Ab-initio study of periodic Ice surfaces containing HCl. 2000 S. Casassa
Adsorption of NH3with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study 2017 Marana, Naiara L.; Casassa, Silvia M.; Sambrano, Julio R.
AlGaN double-walled nanotubes as ammonia gas sensor 2020 Marana, Naiara L.; Pinhal, Giovanne B.; Casassa, Silvia; Sambrano, Julio R.
Anisotropy of the electron momentum distribution in alpha-quartz investigated by Compton scattering and ab initio simulation 2011 C. Pisani; A. Erba; S. Casassa; M. Itou; Y. Sakurai
Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100) 2014 R. Martinez-Casado; D. Usvyat; L. Maschio; G. Mallia; S. Casassa; J. Ellis; M. Schütz; N. M. Harrison
Atomic-hydrogen interaction with metallic lithium: An ab-initio embedded-cluster study 1994 S. Casassa; C. Pisani
Beyond a Hartree-Fock description of crystalline solids: the case of lithium hydride 2007 CASASSA S; HALO M; MASCHIO L; ROETTI C; PISANI C
Beyond a single-determinantal description of the density matrix of periodic systems: Experimental versus theoretical Compton profiles of crystalline silicon 2011 A. Erba; M. Itou; Y. Sakurai; R. Yamaki; M. Ito; S. Casassa; L. Maschio; A. Terentjevs; C. Pisani
Calibration of (57)Fe Mössbauer constants by first principles 2016 Casassa, Silvia Maria; Ferrari, Anna Maria
CH3-Tagged Bis(pyrazolato)-Based Coordination Polymers and Metal-Organic Frameworks: An Experimental and Theoretical Insight 2017 Mosca, Nello; Vismara, Rebecca; Fernandes, José A.; Casassa, Silvia; Domasevitch, Konstantin V.; Bailón-García, Esther; Maldonado-Hódar, Francisco J.; Pettinari, Claudio; Galli, Simona
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals 2021 Cossard A.; Desmarais J.K.; Casassa S.; Gatti C.; Erba A.