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Journal of Chemical Theory and Computation
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May 29, 2026
PoroNet: An Intrinsically Interpretable Pore Graph Neural Network for Resolving Pore-Level Adsorption in Metal-Organic Frameworks
Chao Zheng, Arun Gopalan, Kaihang Shi
Journal of Chemical Theory and Computation
|
March 19, 2021
Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal-Organic Frameworks
Srinivasu Kancharlapalli, Arun Gopalan, Maciej Haranczyk, et al.
Journal of Chemical Theory and Computation
|
December 12, 2017
Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal-Organic Frameworks for Adsorption Applications
Edwin Argueta, Jeena Shaji, Arun Gopalan, et al.
Microorganisms
|
August 29, 2024
Evaluation of Direct Antimicrobial Susceptibility Testing of Gram-Negative Bacilli and <i>Staphylococcus aureus</i> from Positive Pediatric Blood Culture Bottles Using BD Phoenix M50
Princess Morales, Patrick Tang, Elaine Mariano, et al.
Molecules (Basel, Switzerland)
|
March 16, 2018
Anomaly in the Chain Length Dependence of n-Alkane Diffusion in ZIF-4 Metal-Organic Frameworks
Seungtaik Hwang, Arun Gopalan, Maximilian Hovestadt, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
May 29, 2026
PoroNet: An Intrinsically Interpretable Pore Graph Neural Network for Resolving Pore-Level Adsorption in Metal-Organic Frameworks
Chao Zheng, Arun Gopalan, Kaihang Shi
Journal of Chemical Theory and Computation
|
March 19, 2021
Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal-Organic Frameworks
Srinivasu Kancharlapalli, Arun Gopalan, Maciej Haranczyk, et al.
Journal of Chemical Theory and Computation
|
December 12, 2017
Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal-Organic Frameworks for Adsorption Applications
Edwin Argueta, Jeena Shaji, Arun Gopalan, et al.
Microorganisms
|
August 29, 2024
Evaluation of Direct Antimicrobial Susceptibility Testing of Gram-Negative Bacilli and <i>Staphylococcus aureus</i> from Positive Pediatric Blood Culture Bottles Using BD Phoenix M50
Princess Morales, Patrick Tang, Elaine Mariano, et al.
Molecules (Basel, Switzerland)
|
March 16, 2018
Anomaly in the Chain Length Dependence of n-Alkane Diffusion in ZIF-4 Metal-Organic Frameworks
Seungtaik Hwang, Arun Gopalan, Maximilian Hovestadt, et al.
Page
of 1