Organizational Unit:
School of Chemistry and Biochemistry
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From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models
Computation of Molecular Properties at the Ab Initio Limit
General-Order Single-Reference and Mulit-Reference Methods in Quantum Chemistry
Pi-pi to full ci: cation dimers and substituent effects in noncovalent interactions
Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning
Theoretical Investigations of pi-pi Interactions and Their Role in Molecular Recognition
Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis
Theoretical Investigations of Pi-Pi and Sulfur-Pi Interactions and their Roles in Biomolecular Systems