Anzahl der Einträge: 4.
2012
Pisani, C.,
Schütz, Martin,
Casassa, S.,
Usvyat, Denis,
Maschio, L.,
Lorenz, Marco und
Erba, A.
(2012)
CRYSCOR: a program for the post-Hartree–Fock treatment of periodic systems.
Physical Chemistry, Chemical Physics (14), S. 7615-7628.
2011
Martinez-Casado, R.,
Mallia, G.,
Usvyat, Denis,
Maschio, L.,
Casassa, S.,
Schütz, Martin und
Harrison, N. M.
(2011)
He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential.
Physical Chemistry, Chemical Physics (13), S. 14750-14757.
Halo, M.,
Casassa, S.,
Maschio, L.,
Pisani, C.,
Dovesi, R.,
Ehinon, D.,
Baraille, I.,
Rerat, M. und
Usvyat, Denis
(2011)
Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN.
Physical Chemistry, Chemical Physics (13), S. 4434-4443.
Martinez-Casado, R.,
Mallia, G.,
Usvyat, Denis,
Maschio, L.,
Casassa, S.,
Schütz, Martin und
Harrison, N. M.
(2011)
Periodic quantum mechanical simulation of the He-MgO(100) interaction potential.
The Journal of Chemical Physics 134 (1), 014706.
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