Einträge von Schütz, Martin auf dem Publikationsserver

Gruppieren nach: Datum | Dokumentenart | Keine Gruppierung

Anzahl der Einträge: 23.

Wälz, Gero, Usvyat, Denis

, Korona, Tatiana

und 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. Volltext nicht vorhanden.

Masur, Oliver, Schütz, Martin, Maschio, Lorenzo

und 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), S. 5145-5156. Volltext nicht vorhanden.

Sansone, Giuseppe

, Maschio, Lorenzo

, Usvyat, Denis

, Schütz, Martin und 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), S. 131-136. Volltext nicht vorhanden.

Specht, Hanno M., Ahrens, Norbert

, Blankenstein, Christiane, Duell, Thomas, Fietkau, Rainer, Gaipl, Udo S.

, Günther, Christine, Gunther, Sophie, Habl, Gregor, Hautmann, Hubert, Hautmann, Matthias

, Huber, Rudolf Maria, Molls, Michael, Offner, Robert

, Rödel, Claus, Rödel, Franz, Schütz, Martin, Combs, Stephanie E. und Multhoff, Gabriele (2015) Heat shock protein 70 (Hsp70) peptide activated Natural Killer (NK) cells for the treatment of patients with non-small cell lung cancer (NSCLC) after radiochemotherapy (RCTx) – from preclinical studies to a clinical phase II trial. Frontiers in immunology 6, S. 162.

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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

Seitz, Michael, Stempfhuber, Sabine, Zabel, Manfred, Schütz, Martin und Reiser, Oliver (2005) Helical Chirality in Pentacoordinate Zinc Complexes - Selective Access to Both Pseudoenantiomers with One Ligand Configuration. Angewandte Chemie International Edition 44 (2), S. 242-245. Volltext nicht vorhanden.

Diese Liste wurde erzeugt am Sat Nov 23 09:09:12 2024 CET.

Exportieren als	Atom RSS 1.0 RSS 2.0

Universitätsbibliothek