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Maxim Secor
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Cited by
Year
Inhomogeneity of interfacial electric fields at vibrational probes on electrode surfaces
ZK Goldsmith, M Secor, S Hammes-Schiffer
ACS central science 6 (2), 304-311, 2020
512020
Role of intact hydrogen-bond networks in multiproton-coupled electron transfer
WD Guerra, E Odella, M Secor, JJ Goings, MN Urrutia, BL Wadsworth, ...
Journal of the American Chemical Society 142 (52), 21842-21851, 2020
332020
Artificial neural networks as propagators in quantum dynamics
M Secor, AV Soudackov, S Hammes-Schiffer
The journal of physical chemistry letters 12 (43), 10654-10662, 2021
282021
Managing the redox potential of PCET in grotthuss-type proton wires
E Odella, M Secor, EA Reyes Cruz, WD Guerra, MN Urrutia, PA Liddell, ...
Journal of the American Chemical Society 144 (34), 15672-15679, 2022
152022
Artificial neural networks as mappings between proton potentials, wave functions, densities, and energy levels
M Secor, AV Soudackov, S Hammes-Schiffer
The journal of physical chemistry letters 12 (9), 2206-2212, 2021
142021
Isobaric molecular dynamics version of the generalized replica exchange method (gREM): Liquid–vapor equilibrium
E Małolepsza, M Secor, T Keyes
The Journal of Physical Chemistry B 119 (42), 13379-13384, 2015
112015
Multi PCET in symmetrically substituted benzimidazoles
E Odella, M Secor, M Elliott, TL Groy, TA Moore, S Hammes-Schiffer, ...
Chemical Science 12 (38), 12667-12675, 2021
102021
Density Matrix-Based Features as Descriptors for Oxygen Reduction and Evolution Catalysts
M Secor, AV Soudackov, S Hammes-Schiffer
The Journal of Physical Chemistry C 127 (31), 15246-15256, 2023
32023
Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to ortho-Cyanobenzoate …
A Mohamed, SC Edington, M Secor, JR Breton, S Hammes-Schiffer, ...
The Journal of Physical Chemistry A 127 (6), 1413-1421, 2023
12023
When a Twist Makes a Difference: Exploring PCET and ESIPT on a Nonplanar Hydrogen-Bonded Donor–Acceptor System
E Odella, JH Fetherolf, M Secor, L DiPaola, RE Dominguez, EJ Gonzalez, ...
The Journal of Physical Chemistry Letters 15 (43), 10835-10841, 2024
2024
The role of an intramolecular hydrogen bond in the redox properties of carboxylic acid naphthoquinones
WD Guerra, E Odella, K Cui, M Secor, RE Dominguez, EJ Gonzalez, ...
Chemical Science 15 (42), 17425-17434, 2024
2024
Investigations into Proton Transfer and Energy Conversion Using Machine Learning and Quantum Chemistry
M Secor
Yale University, 2023
2023
Benchmarking vibrational probe molecules: Dissecting the nitrile spectral response in isolated reporters
S Edington, M Johnson, S Hammes-Schiffer, A Mohamed, J Breton, ...
APS March Meeting Abstracts 2022, N02. 008, 2022
2022
Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid–Vapor Equilibrium
M Edyta, S Maxim, K Tom
2015
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