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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Sangpheak Waratchada, Khuntawee Wasinee, Wolschann Peter, Pongsawasdi Piamsook, Rungrotmongkol Thanyada
Enhanced stability of a naringenin/2,6-dimethyl beta-cyclodextrin inclusion complex: Molecular dynamics and free energy calculations based on MM- and QM-PBSA/GBSA
JOURNAL OF MOLECULAR GRAPHICS & MODELLING 50, 10 (2014) -
Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
Non-adiabatic and intersystem crossing dynamics in SO2. II. The role of triplet states in the bound state dynamics studied by surface-hopping simulations
JOURNAL OF CHEMICAL PHYSICS 140, 204302 (2014) -
Poier Peter, Likos Christos N., Matthews Richard
Influence of Rigidity and Knot Complexity on the Knotting of Confined Polymers
MACROMOLECULES 47, 3394 (2014) -
Osintsev D., Sverdlov V., Selberherr S.
Acoustic phonon and surface roughness spin relaxation mechanisms in strained ultra-scaled silicon films
FUNCTIONAL NANOMATERIALS AND DEVICES VII 854, 29 (2014) -
Geiger Philipp, Dellago Christoph, Macher Markus, Franchini Cesare, Kresse Georg, Bernard Juergen, Stern Josef N., Loerting Thomas
Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations
JOURNAL OF PHYSICAL CHEMISTRY C 118, 10989 (2014) -
Exl Lukas, Abert Claas, Mauser Norbert J., Schrefl Thomas, Stimming Hans Peter, Suess Dieter
FFT-based Kronecker product approximation to micromagnetic long-range interactions
MATHEMATICAL MODELS & METHODS IN APPLIED SCIENCES 24, 1877 (2014) -
Choi J. I. J., Mayr-Schmoelzer W., Mittendorfer F., Redinger J., Diebold U., Schmid M.
The growth of ultra-thin zirconia films on Pd3Zr(0001)
JOURNAL OF PHYSICS-CONDENSED MATTER 26, 225003 (2014) -
Kotakoski J., Eder F. R., Meyer J. C.
Atomic structure and energetics of large vacancies in graphene
PHYSICAL REVIEW B 89, 201406 (2014) -
Alaghaz Abdel-Nasser M. A., Ammar Reda A. A., Koehler Gottfried, Wolschann Karl Peter, El-Gogary Tarek M.
Synthesis, spectral and quantum chemical studies on NO-chelating sulfamonomethoxine-cyclophosph(V)azane and its Er(III) complex
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 128, 724 (2014) -
Taranto C., Andergassen S., Bauer J., Held K., Katanin A., Metzner W., Rohringer G., Toschi A.
From Infinite to Two Dimensions through the Functional Renormalization Group
PHYSICAL REVIEW LETTERS 112, 196402 (2014) -
Aeschbacher Simon, Buerger Reinhard
The Effect of Linkage on Establishment and Survival of Locally Beneficial Mutations
GENETICS 197, 317 (2014) -
Jenke T., Cronenberg G., Burgdoerfer J., Chizhova L. A., Geltenbort P., Ivanov A. N., Lauer T., Lins T., Rotter S., Saul H., Schmidt U., Abele H.
Gravity Resonance Spectroscopy Constrains Dark Energy and Dark Matter Scenarios
PHYSICAL REVIEW LETTERS 112, 151105 (2014) -
Arbo Diego G., Nagele Stefan, Tong Xiao-Min, Xie Xinhua, Kitzler Markus, Burgdoerfer Joachim
Interference of electron wave packets in atomic ionization by subcycle sculpted laser pulses
PHYSICAL REVIEW A 89, 043414 (2014) -
Exl Lukas, Bance Simon, Reichel Franz, Schrefl Thomas, Stimming Hans Peter, Mauser Norbert J.
LaBonte's method revisited: An effective steepest descent method for micromagnetic energy minimization
JOURNAL OF APPLIED PHYSICS 115, 17D118 (2014) -
Atzberger Clement, Klisch Anja, Mattiuzzi Matteo, Vuolo Francesco
Phenological Metrics Derived over the European Continent from NDVI3g Data and MODIS Time Series
REMOTE SENSING 6, 257 (2014) -
Stadtmueller Benjamin, Lueftner Daniel, Willenbockel Martin, Reinisch Eva M., Sueyoshi Tomoki, Koller Georg, Soubatch Serguei, Ramsey Michael G., Puschnig Peter, Tautz F. Stefan, Kumpf Christian
Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces
NATURE COMMUNICATIONS 5, 3685 (2014) -
Rettenwander Daniel, Blaha Peter, Laskowski Robert, Schwarz Karlheinz, Bottke Patrick, Wilkening Martin, Geiger Charles A., Amthauer Georg
DFT Study of the Role of Al3+ in the Fast Ion-Conductor Li7-3xAlx3+La3Zr2O12 Garnet
CHEMISTRY OF MATERIALS 26, 2617 (2014) -
Pena A., Girschik A., Libisch F., Rotter S., Chabanov A. A.
The single-channel regime of transport through random media
NATURE COMMUNICATIONS 5, 3488 (2014) -
Eckhardt C., Hummer K., Kresse G.
Indirect-to-direct gap transition in strained and unstrained SnxGe1-x alloys
PHYSICAL REVIEW B 89, 165201 (2014) -
Fabien Tran, Karsai Ferenc, Blaha Peter
Nonmagnetic and ferromagnetic fcc cerium studied with one-electron methods
PHYSICAL REVIEW B 89, 155106 (2014) -
Solc Roland, Gerzabek Martin H., Lischka Hans, Tunega Daniel
Radical sites in humic acids: A theoretical study on protocatechuic and gallic acids
COMPUTATIONAL AND THEORETICAL CHEMISTRY 1032, 42 (2014) -
Lemmerer B., Utz D., Hanslmeier A., Veronig A., Thonhofer S., Grimm-Strele H., Kariyappa R.
Two-dimensional segmentation of small convective patterns in radiation hydrodynamics simulations
ASTRONOMY & ASTROPHYSICS 563, A107 (2014) -
Hansmann P., Parragh N., Toschi A., Sangiovanni G., Held K.
Importance of d-p Coulomb interaction for high T-C cuprates and other oxides
NEW JOURNAL OF PHYSICS 16, 033009 (2014) -
Likos C. N.
Colloidal interactions: From effective potentials to structure
RIVISTA DEL NUOVO CIMENTO 37, 125 (2014) -
Karsai Ferenc, Tiwald Paul, Laskowski Robert, Tran Fabien, Koller David, Graefe Stefanie, Burgdoerfer Joachim, Wirtz Ludger, Blaha Peter
F center in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches
PHYSICAL REVIEW B 89, 125429 (2014) -
Feist Johannes, Zatsarinny Oleg, Nagele Stefan, Pazourek Renate, Burgdoerfer Joachim, Guan Xiaoxu, Bartschat Klaus, Schneider Barry I.
Time delays for attosecond streaking in photoionization of neon
PHYSICAL REVIEW A 89, 033417 (2014) -
Krimer Dmitry O., Liertzer Matthias, Rotter Stefan, Tuereci Hakan E.
Route from spontaneous decay to complex multimode dynamics in cavity QED
PHYSICAL REVIEW A 89, 033820 (2014) -
Wang Zhiming, Zhong Zhicheng, Hao Xianfeng, Gerhold Stefan, Stoeger Bernhard, Schmid Michael, Sanchez-Barriga Jaime, Varykhalov Andrei, Franchini Cesare, Held Karsten, Diebold Ulrike
Anisotropic two-dimensional electron gas at SrTiO3(110)
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 111, 3933 (2014) -
Grueneis Andreas, Kresse Georg, Hinuma Yoyo, Oba Fumiyasu
Ionization Potentials of Solids: The Importance of Vertex Corrections
PHYSICAL REVIEW LETTERS 112, 096401 (2014) -
Kastlunger Georg, Stadler Robert
Density functional theory based calculations of the transfer integral in a redox-active single-molecule junction
PHYSICAL REVIEW B 89, 115412 (2014)
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