Multiscale Modeling Approach for the Aldol Addition Reaction in Multicompartment Micelle-Based Nanoreactor

Cho, Jinwon; Weck, Marcus; Hwang, Sungu; Jang, Seung Soon

doi:10.1021/acs.jpcb.3c05858

Title: Multiscale Modeling Approach for the Aldol Addition Reaction in Multicompartment Micelle-Based Nanoreactor

Journal Article · Mon Nov 13 00:00:00 UTC 2023 · Journal of Physical Chemistry. B

DOI: https://doi.org/10.1021/acs.jpcb.3c05858 · OSTI ID:2205530

Cho, Jinwon ^[1];

^[2]; Hwang, Sungu ^[3];

^[1]

Computational NanoBio Technology Laboratory, School of Materials Science and Engineering, Georgia Institute of Technology, 771 Ferst Drive NW, Atlanta, Georgia 30332-0245, United States
Molecular Design Institute and Department of Chemistry, New York University, New York, New York 10003, United States
Department of Nanomechatronics Engineering, Pusan National University, Miryang 50463, Korea

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Research Organization:: Georgia Institute of Technology, Atlanta, GA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-03ER15459

OSTI ID:: 2205530

Journal Information:: Journal of Physical Chemistry. B, Journal Name: Journal of Physical Chemistry. B Journal Issue: 46 Vol. 127; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Addition reactions
Aldol reactions
Catalysts
Molecules
Solvents

Title: Multiscale Modeling Approach for the Aldol Addition Reaction in Multicompartment Micelle-Based Nanoreactor

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