Search Results - "Pang, Zhongfu"
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Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
Published in Nature communications (05-02-2021)“…Energy–structure–function (ESF) maps can aid the targeted discovery of porous molecular crystals by predicting the stable crystalline arrangements along with…”
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In Silico Tuning of the Pore Surface Functionality in Al-MOFs for Trace CH3I Capture
Published in ACS omega (20-07-2021)“…Aluminum (Al)-based metal–organic frameworks (MOFs) have been shown to have good stability toward γ irradiation, making them promising candidates for durable…”
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Analogy Powered by Prediction and Structural Invariants: Computationally Led Discovery of a Mesoporous Hydrogen-Bonded Organic Cage Crystal
Published in Journal of the American Chemical Society (08-06-2022)“…Mesoporous molecular crystals have potential applications in separation and catalysis, but they are rare and hard to design because many weak interactions…”
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Using sound to synthesize covalent organic frameworks in water
Published in Nature Synthesis (01-01-2022)Get full text
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Designing Functional Organic Material ‘From Scratch’
Published 01-01-2022“…Designing new functional materials with specific properties is a challenging and timeconsuming task due to the complex relationships between structures and…”
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Dissertation -
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In Silico Tuning of the Pore Surface Functionality in Al-MOFs for Trace CH 3 I Capture
Published in ACS omega (20-07-2021)Get full text
Journal Article