Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone
Debasish Koner(Indian Institute of Technology Hyderabad), Markus Meuwly(University of Basel)
Cited by 55
Related Papers
Spontaneous Generation of Aryl Carbocations from Phenols in Aqueous Microdroplets: Aromatic S<sub>N</sub>1 Reactions at the Air–Water Interface
|Journal of the American Chemical Society|2023|76
Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation
|The Journal of Chemical Physics|2019|61
Long-range versus short-range effects in cold molecular ion-neutral collisions
|RePEc: Research Papers in Economics|0|57
Reactive molecular dynamics: From small molecules to proteins
|Wiley Interdisciplinary Reviews Computational Molecular Science|2018|54
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
|The Journal of Chemical Physics|2018|54