Andreas V. Copan

Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis

Sarah N. Elliott, Kevin B. Moore, Andreas V. Copan et al. · Proceedings of the Combustion Institute · 2020 · 57 citations · Full text

Chemical Engineering, Engineering, Reaction Engineering +9

Investigating the Effects of Basis Set on Metal–Metal and Metal–Ligand Bond Distances in Stable Transition Metal Carbonyls: Performance of Correlation Consistent Basis Sets with 35 Density Functionals

Beulah S. Narendrapurapu, Nancy A. Richardson, Andreas V. Copan et al. · Journal of Chemical Theory and Computation · 2013 · 54 citations

Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm

Daniel P. Zaleski, Raghu Sivaramakrishnan, Hailey R. Weller et al. · Journal of the American Chemical Society · 2021 · 54 citations · Full text

Simulating X-ray Absorption Spectra with Linear-Response Density Cumulant Theory

Ruojing Peng, Andreas V. Copan, Alexander Yu. Sokolov · The Journal of Physical Chemistry A · 2019 · 41 citations · Full text

X-ray Absorption Spectra, X-ray Spectroscopy, Engineering +14

Multi-fidelity Gaussian process modeling for chemical energy surfaces

Avery E. Wiens, Andreas V. Copan, Henry F. Schaefer · Chemical Physics Letters · 2019 · 24 citations · Full text

Engineering, Machine Learning, Chemical Analysis +17