Mironenko, A. V.

Authored

(521cg) Reaction Mechanism and Kinetics of Methanol Carbonylation on Atomically Dispersed ReOx/SiO2 from First Principles
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(665g) Phase-Dependent Promoting Effect of Surface Oxygen on Molybdenum Carbide Catalysts during Formic Acid Electrooxidation
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(107g) Accurate and Low-Cost Predictions of Complex Solvation and Reactivity Phenomena in Chemistry and Catalysis
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(7h) Influence of Interactions between Solvent Structures and Reactant Alkyl Groups on Lewis-Acid Catalyzed Epoxidations
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(45e) Bridging Simulations with Experiment: Predicting Solvent and Confinement Effects in Catalysis By Hydrophilic and Hydrophobic Zeolites
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(513fx) Multiscale Modeling of Chemical Reactions: From Physics-Based Reactive Force Fields to Mixed-Resolution Reactive Coarse-Grained Models
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(538b) Reactive Force Field Derived from First Principles
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(225g) Implementation of Quantum Mechanics/Coarse-Grained Molecular Mechanics (QM/CG-MM)
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Related Proceedings

2019 AIChE Annual Meeting2020 Virtual AIChE Annual Meeting2022 Annual Meeting2023 AIChE Annual Meeting