Local-MP2 electron correlation method for nonconducting crystals
Pisani, C, Busso, M, Capecchi, G, Casassa, S, Dovesi, R, Maschio, L, Zicovich-Wilson, C, Schütz, M
Published in The Journal of chemical physics (01.03.2005)
Published in The Journal of chemical physics (01.03.2005)
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The effect of long-range order on intermolecular interactions in organic semiconductors: zinc octaethyl porphyrin molecular thin film model systems
Kumar, A, Naumenko, D, Rossi, G, Magnano, E, Nappini, S, Bondino, F, Segoloni, E, Amidani, L, d'Acapito, F, Boscherini, F, Barba, L, Pace, E, Benfatto, M, Casassa, S, Pedio, M
Published in Physical chemistry chemical physics : PCCP (24.10.2019)
Published in Physical chemistry chemical physics : PCCP (24.10.2019)
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Journal Article
Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations
Zicovich-Wilson, C. M., Hô, M., Navarrete-López, A. M., Casassa, S.
Published in Theoretical chemistry accounts (01.08.2016)
Published in Theoretical chemistry accounts (01.08.2016)
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Journal Article
Periodic quantum mechanical simulation of the He-MgO(100) interaction potential
Martinez-Casado, R, Mallia, G, Usvyat, D, Maschio, L, Casassa, S, Schütz, M, Harrison, N M
Published in The Journal of chemical physics (07.01.2011)
Published in The Journal of chemical physics (07.01.2011)
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Journal Article
Proton ordered cubic and hexagonal periodic models of ordinary ice
Casassa, S., Calatayud, M., Doll, K., Minot, C., Pisani, C.
Published in Chemical physics letters (20.06.2005)
Published in Chemical physics letters (20.06.2005)
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Journal Article
Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN
Halo, M, Casassa, S, Maschio, L, Pisani, C, Dovesi, R, Ehinon, D, Baraille, I, Rérat, M, Usvyat, D
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Journal Article
Polar and non-polar domain borders in MgO ultrathin films on Ag(0 0 1)
Ferrari, A.M., Casassa, S., Pisani, C., Altieri, S., Rota, A., Valeri, S.
Published in Surface science (01.08.2005)
Published in Surface science (01.08.2005)
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Journal Article
Quantum Mechanical ab Initio Characterization of a Simple Periodic Model of the Silica Surface
Civalleri, B, Casassa, S, Garrone, E, Pisani, C, Ugliengo, P
Published in The journal of physical chemistry. B (25.03.1999)
Published in The journal of physical chemistry. B (25.03.1999)
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Journal Article
Computational simulations of [email protected] and [email protected] [email protected] nanotubes
Marana, N.L., Casassa, S., Longo, E., Sambrano, J. R.
Published in Journal of solid state chemistry (15.10.2018)
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Published in Journal of solid state chemistry (15.10.2018)
Journal Article
Quasi-periodic ab initio models in material science: the case of oxygen-deficient centers in optical fibers
Pisani, C., Busso, M., Lopez-Gejo, F., Casassa, S., Maschio, L.
Published in Theoretical chemistry accounts (01.03.2004)
Published in Theoretical chemistry accounts (01.03.2004)
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Journal Article
Effect of in content on thermoelectric performance of In Ga1−N alloys: Hybrid density functional theory study based on realistic models
Aroussi, H.C., Marana, N.L., Hamdache, F., Houaria, R., Bahlouli, S., Casassa, S.
Published in The Journal of physics and chemistry of solids (01.07.2021)
Published in The Journal of physics and chemistry of solids (01.07.2021)
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Journal Article
Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes
Marana, N.L., Casassa, S., Longo, E., Sambrano, J.R.
Published in Journal of solid state chemistry (01.10.2018)
Published in Journal of solid state chemistry (01.10.2018)
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Journal Article
Effect of in content on thermoelectric performance of InxGa1−xN alloys: Hybrid density functional theory study based on realistic models
Aroussi, H.C., Marana, N.L., Hamdache, F., Houaria, R., Bahlouli, S., Casassa, S.
Published in The Journal of physics and chemistry of solids (01.07.2021)
Published in The Journal of physics and chemistry of solids (01.07.2021)
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