Go to content
UR Home

Publications by Schütz, Martin

Up a level
Export as
[feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Date | Item type | No Grouping
Jump to: 2016 | 2013 | 2012 | 2011 | 2009 | 2005
Number of items: 22.

2016

Wälz, Gero, Usvyat, Denis , Korona, Tatiana and Schütz, Martin (2016) A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials. The Journal of Chemical Physics 144 (8), 084117. Fulltext not available.

Masur, Oliver, Schütz, Martin, Maschio, Lorenzo and Usvyat, Denis (2016) Fragment-Based Direct-Local-Ring-Coupled-Cluster Doubles Treatment Embedded in the Periodic Hartree–Fock Solution. Journal of Chemical Theory and Computation 12 (10), pp. 5145-5156. Fulltext not available.

Sansone, Giuseppe , Maschio, Lorenzo , Usvyat, Denis , Schütz, Martin and Karttunen, Antti (2016) Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach. The Journal of Physical Chemistry Letters 7 (1), pp. 131-136. Fulltext not available.

2013

Hinreiner, Matthias, Ryndyk, Dmitry, Usvyat, Denis, Merz, Thomas, Schütz, Martin and Richter, Klaus (2013) Influencing the conductance in biphenyl-like molecular junctions with THz radiation. physica status solidi b 250 (11), pp. 2408-2416. Fulltext restricted.

Merz, Thomas, Wenninger, M., Weinberger, Michael, Riedle, E., Wagenknecht, Hans-Achim and Schütz, Martin (2013) Conformational control of benzophenone-sensitized charge transfer in dinucleotides. Physical Chemistry Chemical Physics 15, pp. 18607-18619.

Masur, Oliver, Usvyat, Denis and Schütz, Martin (2013) Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. Journal of Chemical Physics 139, p. 164116.

Ledermüller, Katrin, Kats, Daniel and 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.

Schütz, Martin, Yang, Jun, Chan, Garnet Kin-Lic, Manby, Frederick R. and Werner, Hans-Joachim (2013) The orbital-specific virtual local triples correction: OSV-L(T). The Journal of Chemical Physics 138, 054109.

2012

Schütz, Martin (2012) Diagnostische und therapeutische Konsequenz von Ultraschallbefunden – Eine Anwendungsbeobachtung. PhD, Universität Regensburg.

Loibl, Stefan and 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.

Yang, Jun, Chan, Garnet Kin-Lic, Manby, Frederick R., Schütz, Martin and Werner, Hans-Joachim (2012) The orbital-specific-virtual local coupled cluster singles and doubles method. Journal of Chemical Physics 136, p. 144105.

Pisani, C., Schütz, Martin, Casassa, S., Usvyat, Denis, Maschio, L., Lorenz, Marco and Erba, A. (2012) CRYSCOR: a program for the post-Hartree–Fock treatment of periodic systems. Physical Chemistry, Chemical Physics (14), pp. 7615-7628.

Lorenz, Marco, Maschio, Lorenzo, Usvyat, Denis and 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, p. 204119.

2011

Werner, Hans-Joachim and Schütz, Martin (2011) An efficient local coupled cluster method for accurate thermochemistry of large systems. Journal of Chemical Physics 135 (14), p. 144116.

Ursyvat, Denis, Civalleri, Bartolomeo, Maschio, Lorenzo, Dovesi, Roberto, Pisani, Cesari and 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, p. 214105.

Martinez-Casado, R., Mallia, G., Usvyat, Denis, Maschio, L., Casassa, S., Schütz, Martin and 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), pp. 14750-14757.

Lorenz, Marco, Usvyat, Denis and 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.

Voloshina, Elena, Usvyat, Denis, Schütz, Martin, Dedkov, Yuriy and Paulus, Beate (2011) On the physisorption of water on graphene: a CCSD(T) study. Physical Chemistry, Chemical Physics (13), pp. 12041-12047.

Martinez-Casado, R., Mallia, G., Usvyat, Denis, Maschio, L., Casassa, S., Schütz, Martin and Harrison, N. M. (2011) Periodic quantum mechanical simulation of the He-MgO(100) interaction potential. The Journal of Chemical Physics 134 (1), 014706.

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

2009

Hoppe, Diana, Schemmel, Dominik, Schütz, Martin and Pfitzner, Arno (2009) Nb and Ta adduct compounds: Connecting d⁰ metal chlorides and phosphorus sulfide cages. Chemistry - A European Journal (15), pp. 7129-7138.

2005

Seitz, Michael, Stempfhuber, Sabine, Zabel, Manfred, Schütz, Martin and Reiser, Oliver (2005) Helical Chirality in Pentacoordinate Zinc Complexes - Selective Access to Both Pseudoenantiomers with One Ligand Configuration. Angewandte Chemie International Edition 44 (2), pp. 242-245. Fulltext not available.

This list was generated on Fri Apr 10 06:04:06 2020 CEST.
  1. Homepage UR

University Library

Publication Server

Contact:

Publishing: oa@ur.de

Dissertations: dissertationen@ur.de

Research data: daten@ur.de

Contact persons