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Nanoscale|November 12, 2025
Precise estimation of surface-layer monomer counts in nanoparticlesKlavs Hansen, Roope HalonenThe Journal of Physical Chemistry. A|October 5, 2016
Effect of Conformers on Free Energies of Atmospheric ComplexesLauri Partanen, Hanna Vehkamäki, Klavs Hansen, et al.Physical Chemistry Chemical Physics : PCCP|February 22, 2022
Shells in CO<sub>2</sub> clustersJohn W Niman, Benjamin S Kamerin, Vitaly V Kresin, et al.Journal of Chemical Theory and Computation|May 15, 2024
Assessment of Anharmonicities in Clusters: Developing and Validating a Minimum-Information Partition FunctionRoope HalonenThe Journal of Chemical Physics|May 15, 2023
Further cautionary tales on thermostatting in molecular dynamics: Energy equipartitioning and non-equilibrium processes in gas-phase simulationsRoope Halonen, Ivo Neefjes, Bernhard ReischlThe Journal of Chemical Physics|May 3, 2018
Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleationRoope Halonen, Evgeni Zapadinsky, Hanna VehkamäkiProceedings of the National Academy of Sciences of the United States of America|July 5, 2022
Nonisothermal nucleation in the gas phase is driven by cool subcritical clustersValtteri Tikkanen, Bernhard Reischl, Hanna Vehkamäki, et al.The Journal of Physical Chemistry. A|November 2, 2022
Clusters of Fullerenes: Structures and DynamicsKlavs Hansen, Henning ZettergrenPhysical Chemistry Chemical Physics : PCCP|July 2, 2021
Computing gold cluster energies with density functional theory: the importance of correlationPiero Ferrari, Klavs HansenPageof 6