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Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N2O and dynamics for the N + NO ↔ O + N2 and N2 + O → 2N + O reactions

artículo científico publicado en 2020

Dynamics and Infrared Spectrocopy of Monomeric and Dimeric Wild Type and Mutant Insulin

artículo científico publicado en 2020

Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation

artículo científico publicado en 2019

Long-range versus short-range effects in cold molecular ion-neutral collisions

artículo científico publicado en 2019

N3 +: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics

artículo científico publicado en 2020

Near dissociation states for H2+-He on MRCI and FCI potential energy surfaces

scientific article published on 11 November 2019

Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics

scientific article published on 01 July 2020

Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone

artículo científico publicado en 2020

Quantum dynamical study of the He + NeH+ reaction on a new analytical potential energy surface

artículo científico publicado en 2013

The N(4S) + O2(X3Σ) ↔ O(3P) + NO(X2Π) reaction: thermal and vibrational relaxation rates for the 2A', 4A' and 2A'' states

scientific article published on 01 February 2020

Wave packet and statistical quantum calculations for the He + NeH⁺ → HeH⁺ + Ne reaction on the ground electronic state.

artículo científico publicado en 2014

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