Accelerated Lignocellulosic Molecule Adsorption Structure Determination
Author:
Affiliation:
1. Department of Applied Physics, Aalto University, 00076 Aalto, Espoo, Finland
2. Nano Life Science Institute (WPI-NanoLSI), Kanazawa University, 920-1192 Kanazawa, Japan
Funder
Research Council of Finland
CSC - IT Center for Science
Aalto Science IT project
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01292
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1. Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
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4. DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters
5. DFT-Based Global Optimization of Sub-nanometer Ni–Pd Clusters
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