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Modified Lennard‐Jones potentials for nanoscale atoms

Published:2020-06-27 Issue:22 Volume:41 Page:1985-2000
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Sikorska Celina¹^ORCID,Gaston Nicola¹^ORCID

Affiliation:

1. Department of Physics, The MacDiarmid Institute for Advanced Materials and NanotechnologyThe University of Auckland Auckland New Zealand

Funder

New Zealand eScience Infrastructure (NeSI) high performance computing facilities

The MacDiarmid Institute for Advanced Materials and Nanotechnology

Wroclaw Centre for Networking and Supercomputing

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26368

Reference43 articles.

1. Infrared Filters of Controllable Transmission

2. Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

3. Efficient and Selective Conversion of Phosphine-Protected (MAu8)2+ (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu12)6+ or Alkynyl-Protected (MAu12)4+ Superatoms via Hydride Doping

4. Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes

5. Magnesium-Based Oxyfluoride Superatoms: Design, Structure, and Electronic Properties

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