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Teoretisk studie kring bildning av iminoacetonitril
The purpose of this study is to investigate the dimerisation of HCN in the condensed phase. The included data consists of quantum chemical calculations and optimized structures... -
Elektronegativitet för atomer i molekyler
The purpose of this study is to investigate electronegativity and charges of atoms in molecules. These properties have been obtained from topological analyses of the real space... -
Simuleringar av HCN polymerisation
The research study investigated the free energy landscape of HCN oligomerization through competing pathways. The research data consists of results from quantum chemical... -
Snabbare konvergens för Variational Quantum Eigensolver genom parameteröverfö...
Results of quantum computer simulations, using the Variational Quantum Eigensolver (VQE). The dataset contains data calculated using various parameters and settings. The goal of...
