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Globally optimal catalytic fields for a Diels-Alder reaction.
J Chem Phys. 2020 Mar 21;152(11):114106. doi: 10.1063/1.5142839.
J Chem Phys. 2020.
PMID: 32199410
Globally Optimal Catalytic Fields - Inverse Design of Abstract Embeddings for Maximum Reaction Rate Acceleration.
Dittner M, Hartke B.
Dittner M, et al.
J Chem Theory Comput. 2018 Jul 10;14(7):3547-3564. doi: 10.1021/acs.jctc.8b00151. Epub 2018 Jun 25.
J Chem Theory Comput. 2018.
PMID: 29883539
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Efficient global optimization of reactive force-field parameters.
Dittner M, Müller J, Aktulga HM, Hartke B.
Dittner M, et al.
J Comput Chem. 2015 Jul 30;36(20):1550-61. doi: 10.1002/jcc.23966. Epub 2015 Jun 17.
J Comput Chem. 2015.
PMID: 26085201
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Femtosecond Time-Resolved Dynamics of trans-Azobenzene on Gold Nanoparticles.
Köhntopp A, Dittner M, Temps F.
Köhntopp A, et al. Among authors: dittner m.
J Phys Chem Lett. 2016 Apr 7;7(7):1088-95. doi: 10.1021/acs.jpclett.6b00102. Epub 2016 Mar 9.
J Phys Chem Lett. 2016.
PMID: 26959865
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