@article{0cb396e9a4c84f829bfdcc717f41ae42,
title = "Sampling effects in quantum mechanical/molecular mechanics trajectory surface hopping non-adiabatic dynamics",
keywords = "surface hopping, QM, MM, initial conditions, MOLECULAR-DYNAMICS, CASSCF, SPACE, QM/MM",
author = "Davide Avagliano and Emilio Lorini and Leticia Gonzalez",
note = "Publisher Copyright: {\textcopyright} 2022 The Authors.",
year = "2022",
month = may,
day = "16",
doi = "10.1098/rsta.2020.0381",
language = "English",
volume = "380",
journal = "Philosophical Transactions of the Royal Society of London. Mathematical, Physical and Engineering Sciences",
issn = "1364-503X",
publisher = "ROYAL SOC CHEMISTRY",
number = "2223",
}