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Khoa N. Le
Khoa N. Le
Application Scientist, Chemaxon
Adresse e-mail validée de uoregon.edu
Titre
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Année
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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