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Journal of Chemical Theory and Computation|December 6, 2017
Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction MethodDaniel Hollas, Lukáš Šištík, Edward G Hohenstein, et al.The Journal of Chemical Physics|April 9, 2024
Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals-A trajectory surface hopping and XMS-CASPT2 perspectiveJiří Janoš, Joao Pedro Figueira Nunes, Daniel Hollas, et al.Scientific Reports|April 9, 2017
Aqueous Solution Chemistry of Ammonium Cation in the Auger Time WindowDaniel Hollas, Marvin N Pohl, Robert Seidel, et al.The Journal of Physical Chemistry. B|April 28, 2010
Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozymeVojtech Mlýnský, Pavel Banás, Daniel Hollas, et al.The Journal of Physical Chemistry. B|July 31, 2015
Control of X-ray Induced Electron and Nuclear Dynamics in Ammonia and Glycine Aqueous Solution via Hydrogen BondingIsaak Unger, Daniel Hollas, Robert Seidel, et al.The Journal of Physical Chemistry. A|December 10, 2024
Reactive Radical Etching of Quartz by Microwave Activated CH<sub>4</sub>/H<sub>2</sub> Plasmas Promotes Gas Phase Nanoparticle FormationMichael N R Ashfold, Basile F E Curchod, Daniel Hollas, et al.The Journal of Physical Chemistry. A|June 10, 2014
Clustering and photochemistry of freon CF2Cl2 on argon and ice nanoparticlesViktoriya Poterya, Jaroslav Kočišek, Jozef Lengyel, et al.Journal of Chemical Theory and Computation|March 14, 2022
Performance of Molecular Mechanics Force Fields for RNA Simulations: Stability of UUCG and GNRA HairpinsPavel Banáš, Daniel Hollas, Marie Zgarbová, et al.ACS Earth & Space Chemistry|January 28, 2022
Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic CompoundsAntonio Prlj, Emanuele Marsili, Lewis Hutton, et al.Nature Communications|November 28, 2018
Competition between proton transfer and intermolecular Coulombic decay in waterClemens Richter, Daniel Hollas, Clara-Magdalena Saak, et al.Pageof 3