Quantum Chemistry

Computational Chemistry Workflow and Software Development

Computational Chemistry Workflow and Software Development

CHEMSMART computational chemistry workflows

Jan 1, 2025

Density Functional Theory Study of the Light-Induced Excited Spin-State Trapping Effect in Spin Crossover Materials

Density Functional Theory Study of the Light-Induced Excited Spin-State Trapping Effect in Spin Crossover Materials

Supervised by Prof. Ben Powell and Dr Nadeem Natt

Nov 25, 2022