Výsledky vyhledávání - "Le Nhan, Pham"

Predicting biomolecule adsorption on MoS2 nanosheets with high structural fidelity

Autor: Le Nhan Pham, Tiffany Walsh

Publikováno v: Chemical Science. 13:5186-5195

Benchmarked van der Waals density functional theory calculations are used to create a force-field to describe biomolecule interactions at the aqueous MoS2 interface, which can recover interfacial biomolecule adsorption with high structural fidelity.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8ef6bcf3dc95cf2fde49d4871bf5cf3e
https://doi.org/10.1039/d1sc06814h

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Electrochemical synthesis of poly(trisulfides)

Autor: Jasmine Pople, Thomas Nicholls, Le Nhan Pham, Witold Bloch, Lynn Lisboa, Michael Perkins, Christopher Gibson, Michelle Coote, Zhongfan Jia, Justin Chalker

With increasing interest in high sulfur content polymers, there is a need to develop new methods for their synthesis that feature better safety and control of structure. In this report, electrochemically-initiated ring-opening polymerization of norbo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7c577e7bdc17b19f20075c5987fac763
https://doi.org/10.26434/chemrxiv-2023-9nv60

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Thermal imaging and clandestine surveillance using low-cost polymers with long-wave infrared transparency

Autor: Samuel Tonkin, Le Nhan Pham, Jason Gascooke, Martin Johnston, Michelle Coote, Christopher Gibson, Justin Chalker

With increasing use of infrared imaging in medical diagnostics, military and civilian surveillance, and navigation of autonomous vehicles, there is a need for low-cost alternatives to traditional materials used in infrared optics such as germanium. S

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::811aca0a7fcb6df6b932ede05098fd26
https://doi.org/10.26434/chemrxiv-2022-bzzd3

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Predicting biomolecule adsorption on MoS

Autor: Le Nhan, Pham, Tiffany R, Walsh

Publikováno v: Chemical science. 13(18)

A new force field, MoSu-CHARMM, for the description of bio-interfacial structures at the aqueous MoS

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::aecbba171050bb1ef86a45849d9199a5
https://pubmed.ncbi.nlm.nih.gov/35655578

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Force fields for water-surface interaction: is reproduction of the experimental water contact angle enough?

Autor: Tiffany R. Walsh, Le Nhan Pham

Publikováno v: Chemical communications (Cambridge, England). 57(27)

A new protocol based on quantum chemical calculations and molecular dynamics simulations is proposed to revisit water–MoS2 interfacial force fields (FFs). The accurate reproduction of experimental water contact angles is suggested to be insufficien

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d91cfaf478006a26e1813ec526070c11
https://pubmed.ncbi.nlm.nih.gov/33665652

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