Ivo Neefjes
0000-0003-4549-0114
12 papers found
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Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning
Collision-sticking rates of acid–base clusters in the gas phase determined from atomistic simulation and a novel analytical interacting hard-sphere model
Modelling approaches for atmospheric ion-dipole collisions: all-atom trajectory simulations and central field methods
Further cautionary tales on thermostatting in molecular dynamics: Energy equipartitioning and non-equilibrium processes in gas-phase simulations
Atmospheric Sulfuric Acid–Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning
Supplementary material to "Collision-sticking rates of acid–base clusters in the gas phase determined from atomistic simulation and a novel analytical interacting hard-sphere model"
Ion–Molecule Rate Constants for Reactions of Sulfuric Acid with Acetate and Nitrate Ions
Modeling approaches for atmospheric ion–dipole collisions: all-atom trajectory simulations and central field methods
Separation of isomers using a differential mobility analyser (DMA): Comparison of experimental vs modelled ion mobility
Multipolar exchange interaction and complex order in insulating lanthanides
Charge transfer from Eu2+ to trivalent lanthanide co-dopants: Systematic behavior across the series
Mixed-Valence Lanthanide-Activated Phosphors: Invariance of the Intervalence Charge Transfer (IVCT) Absorption Onset across the Series
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