Suporting Information

AIP Publishing 2026 Dataset Open access

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Authors: Valentina A. Rovasio, Rodrigo Iglesias, Maria Oviedo
DOI: 10.60893/figshare.jcp.31424534
Cited by: 0

Abstract

Supporting Information containing ligand binding geometries and surface coverages, optimized structures of ligand-functionalized (CdSe)₃₃ nanoclusters, Cartesian coordinates, orbital-projected density of states (DOS/PDOS), coverage-dependent electronic structure analysis, numerical stability and charge conservation tests for the real-time TDDFT propagation, and linear-response TDDFT excitation data.

Fields of Study & Subjects

Quantum Dots Synthesis And Properties Advanced Chemical Physics Studies Nanocluster Synthesis and Applications

Publication details

Journal / source
AIP Publishing
Publication date
11 March 2026
Language
EN
Document type
Dataset