Anzahl der Einträge: 14.
2016
2013
Hinreiner, Matthias,
Ryndyk, Dmitry,
Usvyat, Denis,
Merz, Thomas,
Schütz, Martin und
Richter, Klaus
(2013)
Influencing the conductance in biphenyl-like molecular junctions with THz radiation.
physica status solidi b 250 (11), S. 2408-2416.
Zugang zum Volltext eingeschränkt.
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
Usvyat, Denis,
Civalleri, Bartolomeo,
Maschio, Lorenzo,
Dovesi, Roberto,
Pisani, Cesari und
Schütz, Martin
(2011)
Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH.
The Journal of Chemical Physics 134, S. 214105.
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.
Voloshina, Elena,
Usvyat, Denis,
Schütz, Martin,
Dedkov, Yuriy und
Paulus, Beate
(2011)
On the physisorption of water on graphene: a CCSD(T) study.
Physical Chemistry, Chemical Physics (13), S. 12041-12047.
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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