Work

Supplemental Information

Year: 2026

Type: supplementary-materials

Abstract: The Cartesian coordinates for the optimized geometry of the neutral and anionic TiO2 species and the total converged SCF energy, calculated via CCSD/aug-cc-pVDZ, are provided.

Source: AIP Publishing

DOI: 10.60893/figshare.jcp.34731717

Authors: Korina Vlahos, Jacob Bole, Qing-Yi Zeng, Walt Yang, Melinda Nolten, Martina Havenith, Daniel Neumark

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7225258157

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