Microscopic origin of quantum plasticity in small H 3 + (H 2 ) n ( n = 1–3) clusters revealed by path integral molecular dynamics simulations

Physical Chemistry Chemical Physics 2026

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Authors: K Nishikawa, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa, Taro Udagawa
DOI: 10.1039/d6cp00022c
Cited by: 0
References: 38

Abstract

Path integral molecular dynamics simulations reveal the origin of quantum plasticity in small H 3 + (H 2 ) n clusters, showing that nuclear quantum effects facilitate ligand H 2 rotation via elongation of the H 3 + –H 2 distance.

Fields of Study & Subjects

Quantum superfluid helium dynamics Spectroscopy and Quantum Chemical Studies Advanced Chemical Physics Studies

Publication details

Journal / source
Physical Chemistry Chemical Physics
Volume
28
Issue
14
Pages
8308–8311
Publication date
1 January 2026
Language
EN