Michał Hapka

Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

A Unique Au–Ag–Au Triangular Motif in a Trimetallic Halonium Dication: Silver Incorporation in a Gold(I) Catalyst

Fluorescence origin and spectral broadening mechanism in atomically precise Au8 nanoclusters

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework

The ORCA quantum chemistry program package

Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities

Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions

Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods

An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices

Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition

Software update: The ORCA program system—Version 5.0

Gold(I)-Catalyzed Activation of Alkynes for the Construction of Molecular Complexity

Atomically Precise Clusters of Noble Metals: Emerging Link between Atoms and Nanoparticles

Optical absorption spectra of gold clusters Aun (n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning

Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes

Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection