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Project

BOF-TT-professorship in molecular physics

Information

Project Team

Organisations

Outputs and Outcomes

Publications

Nonbonded force field parameters from minimal basis iterative stockholder partitioning of the molecular electron density improve CB7 host-guest affinity predictions

Duván GonzálezLuis MacayaCarlos Castillo-OrellanaToon VerstraelenStefan Vogt-GeisseEsteban Vöhringer-Martinez

A1 Journal Article in JOURNAL OF CHEMICAL INFORMATION AND MODELING

2022