Markus Meuwly
0000-0001-7930-8806
14 papers found
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Mechanistic Insight into the Precursor Chemistry of ZrO2and HfO2Nanocrystals; towards Size-Tunable Syntheses
Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer
Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges
Sampling reactive regions in phase space by following the minimum dynamic path
O2 formation in cold environments
Near dissociation states for H2+–He on MRCI and FCI potential energy surfaces
The C(3P) + NO(X2Π) → O(3P) + CN(X2Σ+), N(2D)/N(4S) + CO(X1Σ+) reaction: Rates, branching ratios, and final states from 15 K to 20 000 K
An efficient water force field calibrated against intermolecular THz and Raman spectra
Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics
Hydration Control Through Intramolecular Degrees of Freedom: Molecular Dynamics of [Cu(II)(Imidazole)4]
Communication: Vibrational relaxation of CO(1Σ) in collision with Ar(1S) at temperatures relevant to the hypersonic flight regime
Collision-induced rotational excitation in N2+(2Σg+,v=0)–Ar: Comparison of computations and experiment
Reproducing kernel potential energy surfaces in biomolecular simulations: Nitric oxide binding to myoglobin
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