Comprehensive DFTB Parametrization and Its Utilization as a Preoptimizer for Investigating Au-Nanostructures + H2O Systems

Comprehensive DFTB Parametrization and Its Utilization as a Preoptimizer for Investigating Au-Nanostructures + H2O Systems
Conference/Journal Name
JOURNAL OF PHYSICAL CHEMISTRY A
doi
10.1021/acs.jpca.4c07923
Article type
Journal
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