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Taoyi Chen
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Identifying misbonded atoms in the 2019 CoRE metal–organic framework database
T Chen, TA Manz
RSC advances 10 (45), 26944-26951, 2020
222020
A collection of forcefield precursors for metal–organic frameworks
T Chen, TA Manz
RSC advances 9 (63), 36492-36507, 2019
222019
Bond orders of the diatomic molecules
T Chen, TA Manz
RSC advances 9 (30), 17072-17092, 2019
222019
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy
TA Manz, T Chen, DJ Cole, NG Limas, B Fiszbein
RSC advances 9 (34), 19297-19324, 2019
192019
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 2. Linear-scaling computational algorithms and parallelization
TA Manz, T Chen
RSC advances 9 (57), 33310-33336, 2019
102019
Introducing DDEC6 atomic population analysis: part 5. New method to compute polarizabilities and dispersion coefficients
T Manz, T Chen, DJ Cole, NG Limas, B Fiszbein
42018
Polymer Tacticity Effects in Polymer–Lanthanide Chelation Thermodynamics
WR Archer, T Chen, V Vaissier Welborn, MD Schulz
Macromolecules 56 (22), 9062-9069, 2023
12023
Improved polarizability and dispersion calculations in periodic and non-periodic materials using DDEC6 partitioning
T Chen
New Mexico State University, 2018
12018
Preorganized electric fields facilitate ion binding and permeation in voltage-gated sodium channel Nav1. 7
Y Zheng, T Chen, VV Welborn
2024
Developing and Utilizing Atomic Population Analysis Methods to Describe Interactions of Atoms in Materials
T Chen
New Mexico State University, 2020
2020
Accurate Methods to Describe System-Specific Polarization and Dispersion Energies
TA Manz, NG Limas, T Chen, DJ Cole
2017 AIChE Annual Meeting, 2017
2017
Recent Developments in Computing the Properties of Atoms in Materials
N Gabaldon Limas, T Chen, T Manz
Bulletin of the American Physical Society 61, 2016
2016
Electronic Supplementary Information for New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 2. Linear-scaling computational …
TA Manz, T Chen, DJ Cole, NG Limas, B Fiszbein
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