["viewname_eprint_oa_type_2" not defined]

Universität Regensburg (13)
- Chemie und Pharmazie (13)
  - Institut für Physikalische und Theoretische Chemie (13)
    - Arbeitskreis Theoretische Chemie (Theoretical Chemistry) (13)
      - Prof. Dr. Martin Schütz (13)

Gehe zu: L | M | P | S | U | V | W | Y

Anzahl der Einträge in dieser Kategorie: 13.

L

Ledermüller, Katrin, Kats, Daniel

und Schütz, Martin (2013) Local CC2 response method based on the Laplace transform: Orbital-relaxed first-orderproperties for excited states. Journal of Chemical Physics 139, 084111.

Loibl, Stefan und Schütz, Martin (2012) NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals. Journal of Chemical Physics 137, 084107.

Lorenz, Marco, Maschio, Lorenzo

, Usvyat, Denis und Schütz, Martin

(2012) Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids. Journal of Chemical Physics 137, S. 204119.

Lorenz, Marco, Usvyat, Denis und Schütz, Martin (2011) Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers. The Journal of Chemical Physics 134 (9), 094101.

M

Merz, Thomas, Wenninger, M., Weinberger, Michael, Riedle, E.

, Wagenknecht, Hans-Achim und Schütz, Martin (2013) Conformational control of benzophenone-sensitized charge transfer in dinucleotides. Physical Chemistry Chemical Physics 15, S. 18607-18619.

Masur, Oliver, Usvyat, Denis

und Schütz, Martin (2013) Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. Journal of Chemical Physics 139, S. 164116.

Merz, Thomas, Sadeghian, Keyarash und Schütz, Martin (2011) Why BLUF photoreceptors with roseoflavin cofactors lose their biological functionality. Physical Chemistry, Chemical Physics (13), S. 14775-14783.

P

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.

S

Schütz, Martin, Yang, Jun

, Chan, Garnet Kin-Lic, Manby, Frederick R. und Werner, Hans-Joachim

(2013) The orbital-specific virtual local triples correction: OSV-L(T). The Journal of Chemical Physics 138, 054109.

U

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.

V

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.

W

Werner, Hans-Joachim

und Schütz, Martin (2011) An efficient local coupled cluster method for accurate thermochemistry of large systems. Journal of Chemical Physics 135 (14), S. 144116.

Y

Yang, Jun

, Chan, Garnet Kin-Lic, Manby, Frederick R., Schütz, Martin und Werner, Hans-Joachim

(2012) The orbital-specific-virtual local coupled cluster singles and doubles method. Journal of Chemical Physics 136, S. 144105.

Diese Liste wurde erzeugt am Tue Jan 27 23:54:32 2026 CET.

Exportieren als	Atom RSS 1.0 RSS 2.0

L

M

P

S

U

V

W

Y

Universitätsbibliothek