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Khoa N. Le
Khoa N. Le
Application Scientist, Chemaxon
Verified email at uoregon.edu
Title
Cited by
Cited by
Year
Electronic structure modeling of metal–organic frameworks
JL Mancuso, AM Mroz, KN Le, CH Hendon
Chemical reviews 120 (16), 8641-8715, 2020
1732020
Soft mode metal-linker dynamics in carboxylate MOFs evidenced by variable-temperature infrared spectroscopy
AB Andreeva, KN Le, L Chen, ME Kellman, CH Hendon, CK Brozek
Journal of the American Chemical Society 142 (45), 19291-19299, 2020
542020
Determining optical band gaps of MOFs
K Fabrizio, KN Le, AB Andreeva, CH Hendon, CK Brozek
ACS Materials Letters 4 (3), 457-463, 2022
282022
Porous lanthanide metal–organic frameworks with metallic conductivity
G Skorupskii, KN Le, DLM Cordova, L Yang, T Chen, CH Hendon, ...
Proceedings of the National Academy of Sciences 119 (34), e2205127119, 2022
252022
Cooperativity and Metal–Linker Dynamics in Spin Crossover Framework Fe(1,2,3-triazolate)2
AB Andreeva, KN Le, K Kadota, S Horike, CH Hendon, CK Brozek
Chemistry of Materials 33 (21), 8534-8545, 2021
172021
Time-Resolved in Situ Polymorphic Transformation from One 12-Connected Zr-MOF to Another
SJ Lee, JL Mancuso, KN Le, CD Malliakas, YS Bae, CH Hendon, ...
ACS Materials Letters 2 (5), 499-504, 2020
152020
Multifactor theoretical modeling of solar thermal fuels built on azobenzene and norbornadiene scaffolds
R Szabo, KN Le, T Kowalczyk
Sustainable Energy & Fuels 5 (8), 2335-2346, 2021
132021
Pressure-induced metallicity and piezoreductive transition of metal-centres in conductive 2-dimensional metal–organic frameworks
KN Le, CH Hendon
Physical Chemistry Chemical Physics 21 (46), 25773-25778, 2019
132019
Electronic challenges of retrofitting 2D electrically conductive MOFs to form 3D conductive lattices
KN Le, JL Mancuso, CH Hendon
ACS Applied Electronic Materials 3 (5), 2017-2023, 2021
122021
Self-consistent optimization of excited states within density-functional tight-binding
T Kowalczyk, K Le, S Irle
Journal of Chemical Theory and Computation 12 (1), 313-323, 2016
122016
Assembling Phenothiazine into a Porous Coordination Cage to Improve Its Photocatalytic Efficiency for Organic Transformations
H Lin, Z Xiao, KN Le, T Yan, P Cai, Y Yang, GS Day, HF Drake, H Xie, ...
Angewandte Chemie International Edition 61 (49), e202214055, 2022
92022
Electrical conductivity through π–π stacking in a two‐dimensional porous gallium catecholate metal–organic framework
G Skorupskii, G Chanteux, KN Le, I Stassen, CH Hendon, M Dincă
Annals of the New York Academy of Sciences 1518 (1), 226-230, 2022
82022
Conductivity in Open-Framework Chalcogenides Tuned via Band Engineering and Redox Chemistry
J McKenzie, KN Le, DJ Bardgett, KA Collins, T Ericson, MK Wojnar, ...
Chemistry of Materials 34 (4), 1905-1920, 2022
72022
Ligand-Engineered Spin Crossover in Fe (II)-Based Molecular and Metal–Organic Framework Systems
MC Demuth, KN Le, M Sciprint, CH Hendon
The Journal of Physical Chemistry C 127 (5), 2735-2740, 2023
42023
First Principles Studies of the Metal-Organic Interface in Porous Frameworks
KN Le
University of Oregon, 2022
2022
Soft Mode Metal-Linker Dynamics in Carboxylate MOFs
A Andreeva, L Chen, KN Le, ME Kellman, CH Hendon, C Brozek
2020
Porous lanthanide metal-organic frameworks with metallic conductivity G. Skorupskii1, K. Le2, DLM Cordova3, L. Yang1, T. Chen1, CH Hendon2, MQ Arguilla3, M. Dincă1
G Skorupskii, K Le, DLM Cordova, L Yang, T Chen, CH Hendon, ...
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