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The Journal of Physical Chemistry. A|April 28, 2025
Effect of Initial Seed Aerosol Acidity on the Kinetics and Products of Heterogeneous Hydroxyl Radical Oxidation of Isoprene Epoxydiol-Derived Secondary Organic AerosolJin Yan, N Cazimir Armstrong, Katherine R Kolozsvari, et al.The Journal of Physical Chemistry. A|June 6, 2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical SimulationsB Hourahine, M Berdakin, J A Bich, et al.The Journal of Chemical Physics|April 4, 2020
DFTB+, a software package for efficient approximate density functional theory based atomistic simulationsB Hourahine, B Aradi, V Blum, et al.Physical Chemistry Chemical Physics : PCCP|October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials scienceAndrew M Teale, Trygve Helgaker, Andreas Savin, et al.Pageof 26