Bootstrap Embedding For Large Molecular Systems
Author:
Affiliation:
1. Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00438
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1. Organocatalyzed atom transfer radical polymerization driven by visible light
2. First-principles investigation of quantum emission from hBN defects
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4. Robust gold nanorods stabilized by bidentate N-heterocyclic-carbene–thiolate ligands
5. Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study
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