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Project

Theoretical Extensions and Chemical Characterization of Maximum Probability Domains.

Information

Project Team

Organisations

Outputs and Outcomes

Publications

Extending conceptual density functional theory toward first-order reduced density matrices : an open subsystems viewpoint on the Fukui matrix

Guillaume AckeDaria Van HendeXeno De VriendtPatrick Bultinck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

2023

Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions

Daria Van HendeLaurent LemmensStijn De BaerdemackerDimitri Van NeckPatrick BultinckGuillaume Acke

A1 Journal Article in JOURNAL OF COMPUTATIONAL CHEMISTRY

2022