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.
 



460 entries found
with the tags: Universität Wien x
  • Kicuntod Jintawee, Khuntawee Wasinee, Wolschann Peter, Pongsawasdi Piamsook, Chavasiri Warinthorn, Kungwan Nawee, Rungrotmongkol Thanyada
    Inclusion complexation of pinostrobin with various cyclodextrin derivatives
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING 63, 91 (2016)
  • Aquilante Francesco, Autschbach Jochen, Carlson Rebecca K., Chibotaru Liviu F., Delcey Mickael G., De Vico Luca, Galvan Ignacio Fdez, Ferre Nicolas, Frutos Luis Manuel, Gagliardi Laura, Garavelli Marco, Giussani Angelo, Hoyer Chad E., Li Manni Giovanni, L
    Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
    JOURNAL OF COMPUTATIONAL CHEMISTRY 37, 506 (2016)
  • Muthsam, Herbert J., Kupka, Friedrich
    Multidimensional modelling of classical pulsating stars
    Konkoly Observatory, Budapest
  • Bancelin, D.; Pilat-Lohinger, E.; Bazsó, Á.
    Asteroid flux towards circumprimary habitable zones in binary star systems. II. Dynamics
    EDP Sciences
  • Nogueira Juan J., Oppel Markus, Gonzalez Leticia
    Enhancing Intersystem Crossing in Phenotiazinium Dyes by Intercalation into DNA
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54, 4375 (2015)
    VSC project: 70570
  • Flouri T., Izquierdo-Carrasco F., Darriba D., Aberer A. J., Nguyen L. -T., Minh B. Q., Von Haeseler A., Stamatakis A.
    The Phylogenetic Likelihood Library
    SYSTEMATIC BIOLOGY 64, 356 (2015)
    VSC project: 70332
  • Crespo-Hernandez Carlos E, Martinez-Fernandez Lara, Rauer Clemens, Reichardt Christian, Mai Sebastian, Pollum Marvin, Marquetand Philipp, Gonzalez Leticia, Corral Ines
    Electronic and structural elements that regulate the excited-state dynamics in purine nucleobase derivatives.
    Journal of the American Chemical Society 137, 4368 (2015)
  • Jungblut Swetlana, Dellago Christoph
    Caveats of mean first-passage time methods applied to the crystallization transition: Effects of non-Markovianity.
    The Journal of chemical physics 142, 064103 (2015)
  • Sangpheak Waratchada, Kicuntod Jintawee, Schuster Roswitha, Rungrotmongkol Thanyada, Wolschann Peter, Kungwan Nawee, Viernstein Helmut, Mueller Monika, Pongsawasdi Piamsook
    Physical properties and biological activities of hesperetin and naringenin in complex with methylated beta-cyclodextrin
    BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 11, 2763 (2015)
  • Mewes Stefanie A., Plasser Felix, Dreuw Andreas
    Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters
    JOURNAL OF CHEMICAL PHYSICS 143, 171101 (2015)
  • Goerdt Tobias, Ceverino Daniel, Dekel Avishai, Teyssier Romain
    Distribution of streaming rates into high-redshift galaxies
    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 454, 637 (2015)
  • Wirnsberger P., Frenkel D., Dellago C.
    An enhanced version of the heat exchange algorithm with excellent energy conservation properties
    JOURNAL OF CHEMICAL PHYSICS 143, 124104 (2015)
  • Coluzza Ivan
    Constrained versus unconstrained folding free-energy landscapes
    MOLECULAR PHYSICS 113, 2905 (2015)
  • Jungblut Swetlana, Dellago Christoph
    INVITED ARTICLE On the reaction coordinate for seeded crystallisation
    MOLECULAR PHYSICS 113, 2735 (2015)
  • Coluzza Ivan, Jackson Sophie E., Micheletti Cristian, Miller Mark A.
    Knots in soft condensed matter Preface
    JOURNAL OF PHYSICS-CONDENSED MATTER 27, 350301 (2015)
  • Khuntawee Wasinee, Wolschann Peter, Rungrotmongkol Thanyada, Wong-ekkabut Jirasak, Hannongbua Supot
    Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer
    JOURNAL OF CHEMICAL INFORMATION AND MODELING 55, 1894 (2015)
  • Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil
    JOURNAL OF PHYSICAL CHEMISTRY A 119, 9524 (2015)
  • Goerdt Tobias, Ceverino Daniel
    Inflow velocities of cold flows streaming into massive galaxies at high redshifts
    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 450, 3359 (2015)
  • Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    A General Method to Describe Intersystem Crossing Dynamics in Trajectory Surface Hopping
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115, 1215 (2015)
  • Plasser Felix, Aquino Adelia J. A., Lischka Hans, Nachtigallova Dana
    Electronic Excitation Processes in Single-Strand and Double-Strand DNA: A Computational Approach
    PHOTOINDUCED PHENOMENA IN NUCLEIC ACIDS II: DNA FRAGMENTS AND PHENOMENOLOGICAL ASPECTS 356, 1 (2015)
  • Zobel J. Patrick, Nogueira Juan J., Gonzalez Leticia
    Quenching of Charge Transfer in Nitrobenzene Induced by Vibrational Motion
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 6, 3006 (2015)
  • Vorobyov Eduard I., Recchi Simone, Hensler Gerhard
    Stellar hydrodynamical modeling of dwarf galaxies: simulation methodology, tests, and first results
    ASTRONOMY & ASTROPHYSICS 579, A9 (2015)
  • Kinzel Daniel, Zilberg Shmuel, Gonzalez Leticia
    Origin of the Regioselectivity in the Gas-Phase Aniline+CH3+ Electrophilic Aromatic Substitution
    CHEMPHYSCHEM 16, 2366 (2015)
  • Plasser Felix, Thomitzni Benjamin, Baeppler Stefanie A., Wenzel Jan, Rehn Dirk R., Wormit Michael, Dreuw Andreas
    Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
    JOURNAL OF COMPUTATIONAL CHEMISTRY 36, 1609 (2015)
  • Theodorakis P. E., Fytas N. G., Kahl G., Dellago Ch.
    Self-assembly of DNA-functionalized colloids
    CONDENSED MATTER PHYSICS 18, 22801 (2015)
  • Georgieva Ivelina, Aquino Adelia J. A., Plasser Felix, Trendafilova Natasha, Koehn Andreas, Lischka Hans
    Intramolecular Charge-Transfer Excited-State Processes in 4-(N,N-Dimethylamino)benzonitrile: The Role of Twisting and the pi sigma* State
    JOURNAL OF PHYSICAL CHEMISTRY A 119, 6232 (2015)
  • Wieczorek Witlef, Hofer Sebastian G., Hoelscher-Obermaier Jason, Riedinger Ralf, Hammerer Klemens, Aspelmeyer Markus
    Optimal State Estimation for Cavity Optomechanical Systems
    PHYSICAL REVIEW LETTERS 114, 223601 (2015)
  • Mundprecht Eva, Muthsam Herbert J., Kupka Friedrich
    Multidimensional realistic modelling of Cepheid-like variables - II. Analysis of a Cepheid model
    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 449, 2539 (2015)
  • Gastegger Michael, Marquetand Philipp
    High-Dimensional Neural Network Potentials for Organic Reactions and an Improved Training Algorithm
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 11, 2187 (2015)
  • Machado Francisco B. C., Aquino Adelia J. A., Lischka Hans
    The electronic states of a double carbon vacancy defect in pyrene: a model study for graphene
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17, 12778 (2015)

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