348 citations · 1k across the 14 of their papers we have counts for
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physics.chem-ph2022
A statistical perspective on microsolvation
Mohammad Rahbar, Christopher J. Stein
The lack of a procedure to determine equilibrium thermodynamic properties of a small system interacting with a bath is frequently seen as a weakness of conventional statistical mec…
physics.chem-ph2022★ 26 cited
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
Jan P. Unsleber, Hongbin Liu, Leopold Talirz +10
Quantum chemical calculations on atomistic systems have evolved into a standard approach to study molecular matter. These calculations often involve a significant amount of manual…