Publications obtained by using VSC
Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.
936 entries found
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Plasser Felix, Gonzalez Leticia
Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps
JOURNAL OF CHEMICAL PHYSICS 145, 021103 (2016) -
Reilly Anthony M., Cooper Richard I., Adjiman Claire S., Bhattacharya Saswata, Boese A. Daniel, Brandenburg Jan Gerit, Bygrave Peter J., Bylsma Rita, Campbell Josh E., Car Roberto, Case David H., Chadha Renu, Cole Jason C., Cosburn Katherine, Cuppen Herma
Report on the sixth blind test of organic crystal structure prediction methods
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS 72, 439 (2016) -
Morawietz Tobias, Singraber Andreas, Dellago Christoph, Behler Joerg
How van der Waals interactions determine the unique properties of water
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 8368 (2016) -
Ferstl Pascal, Hammer Lutz, Sobel Christopher, Gubo Matthias, Heinz Klaus, Schneider M. Alexander, Mittendorfer Florian, Redinger Josef
Self-Organized Growth, Structure, and Magnetism of Monatomic Transition-Metal Oxide Chains
PHYSICAL REVIEW LETTERS 117, 046101 (2016) -
Greensite Jeff, Hoellwieser Roman
Relative weights approach to SU(3) gauge theories with dynamical fermions at finite density
PHYSICAL REVIEW D 94, 014504 (2016) -
Zingl Manuel, Assmann Elias, Seth Priyanka, Krivenko Igor, Aichhorn Markus
Importance of effective dimensionality in manganese pnictides
PHYSICAL REVIEW B 94, 045130 (2016) -
Wan Lin, Wendner Roman, Cusatis Gianluca
A novel material for in situ construction on Mars: experiments and numerical simulations
CONSTRUCTION AND BUILDING MATERIALS 120, 222 (2016) -
Tona Veronica, de la Torre Aurelien, Padmanaban Mohan, Ruider Stefan, Gonzalez Leticia, Maulide Nuno
Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138, 8348 (2016) -
Wimmer Yannick, El-Sayed Al-Moatasem, Goes Wolfgang, Grasser Tibor, Shluger Alexander L.
Role of hydrogen in volatile behaviour of defects in SiO2-based electronic devices
PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES 472, 20160009 (2016) -
Sanyal Prabuddha, Halder Anita, Si Liang, Wallerberger Markus, Held Karsten, Saha-Dasgupta Tanusri
Magnetism in Sr2CrMoO6: A combined ab initio and model study
PHYSICAL REVIEW B 94, (2016) -
Einkemmer Lukas
A resistive magnetohydrodynamics solver using modern C plus plus and the Boost library
COMPUTER PHYSICS COMMUNICATIONS 206, 69 (2016) -
Huber Veronika, Bikaljevic Djuro, Redinger Josef, Memmel Norbert
Structure of Low and High Coverage Phases of Bromine on Pd(110)
JOURNAL OF PHYSICAL CHEMISTRY C 120, 13523 (2016) -
Nazemi Sanaz, Pourfath Mahdi, Soleimani Ebrahim Asl, Kosina Hans
The effect of oxide shell thickness on the structural, electronic, and optical properties of Si-SiO2 core-shell nano-crystals: A (time dependent)density functional theory study
JOURNAL OF APPLIED PHYSICS 119, 144302 (2016) -
Wirnsberger P., Fijan D., Saric A., Neumann M., Dellago C., Frenkel D.
Non-equilibrium simulations of thermally induced electric fields in water
JOURNAL OF CHEMICAL PHYSICS 144, 224102 (2016) -
Mayr Lukas, Shi Xuerong, Koepfle Norbert, Kloetzer Bernhard, Zemlyanov Dmitry Y., Penner Simon
Tuning of the copper-zirconia phase boundary for selectivity control of methanol conversion
JOURNAL OF CATALYSIS 339, 111 (2016) -
Schoeffler Markus S., Xie Xinhua, Wustelt Philipp, Moeller Max, Roither Stefan, Kartashov Daniil, Sayler A. Max, Baltuska Andrius, Paulus Gerhard G., Kitzler Markus
Laser-subcycle control of sequential double-ionization dynamics of helium
PHYSICAL REVIEW A 93, 063421 (2016) -
Tran Fabien, Stelzl Julia, Blaha Peter
Rungs 1 to 4 of DFT Jacob's ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids
JOURNAL OF CHEMICAL PHYSICS 144, 204120 (2016) -
Plasser Felix
Entanglement entropy of electronic excitations
JOURNAL OF CHEMICAL PHYSICS 144, 194107 (2016) -
Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture
JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7, 1978 (2016) -
Mahynski Nathan A., Rovigatti Lorenzo, Likos Christos N., Panagiotopoulos Athanassios Z.
Bottom-Up Colloidal Crystal Assembly with a Twist
ACS NANO 10, 5459 (2016) -
Pudleiner P., Schaefer T., Rost D., Li G., Held K., Bluemer N.
Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model
PHYSICAL REVIEW B 93, 195134 (2016) -
Choi Joong Il Jake, Mayr-Schmolzer Wernfried, Valenti Ilaria, Luches Paola, Mittendorfer Florian, Redinger Josef, Diebold Ulrike, Schmid Michael
Metal Adatoms and Clusters on Ultrathin Zirconia Films
JOURNAL OF PHYSICAL CHEMISTRY C 120, 9920 (2016) -
Reinisch E. M., Puschnig P., Ules T., Ramsey M. G., Koller G.
Layer-resolved photoemission tomography: The p-sexiphenyl bilayer upon Cs doping
PHYSICAL REVIEW B 93, 155438 (2016) -
Aman J. A., DeSalvo B. J., Dunning F. B., Killian T. C., Yoshida S., Burgdoerfer J.
Trap losses induced by near-resonant Rydberg dressing of cold atomic gases
PHYSICAL REVIEW A 93, (2016) -
Kreutzer Johannes, Blaha Peter, Schubert Ulrich
Assessment of different basis sets and DFT functionals for the calculation of structural parameters, vibrational modes and ligand binding energies of Zr4O2(carboxylate)(12) clusters
COMPUTATIONAL AND THEORETICAL CHEMISTRY 1084, 162 (2016) -
Huber Markus Q.
Correlation functions of three-dimensional Yang-Mills theory from Dyson-Schwinger equations
PHYSICAL REVIEW D 93, 085033 (2016) -
Wang Z., Loon A., Subramanian A., Gerhold S., McDermott E., Enterkin J. A., Hieckel M., Russell B. C., Green R. J., Moewes A., Guo J., Blaha P., Castell M. R., Diebold U., Marks L. D.
Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate
NANO LETTERS 16, 2407 (2016) -
Maier Juergen, Detz Hermann
Atomistic modeling of interfaces in III-V semiconductor superlattices
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 253, 613 (2016) -
Ilyas Nahid, Harivyasi Shashank S., Zahl Percy, Cortes Rocio, Hofmann Oliver T., Sutter Peter, Zojer Egbert, Monti Oliver L. A.
Sticking with the Pointy End? Molecular Configuration of Chloro Boron-Subphthalocyanine on Cu(111)
JOURNAL OF PHYSICAL CHEMISTRY C 120, 7113 (2016) -
Li Gang, Wentzell Nils, Pudleiner Petra, Thunstroem Patrik, Held Karsten
Efficient implementation of the parquet equations: Role of the reducible vertex function and its kernel approximation
PHYSICAL REVIEW B 93, 165103 (2016)
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