Remco W. A. Havenith

Orcid: 0000-0003-0038-6030

According to our database1, Remco W. A. Havenith authored at least 5 papers between 1998 and 2024.

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Bibliography

2024
DszA Catalyzes C-S Bond Cleavage through N<sup>5</sup>-Hydroperoxyl Formation.
J. Chem. Inf. Model., 2024

2021
Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit.
J. Comput. Chem., 2021

2020
Pre-exascale accelerated application development: The ORNL Summit experience.
IBM J. Res. Dev., 2020

2018
Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions.
J. Comput. Chem., 2018

1998
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s.
J. Comput. Aided Mol. Des., 1998


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