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Versatile Homoleptic Naphthyl-Acetylide Heteronuclear [Pt2M4(CC-Np)8] (M = Ag, Cu) Phosphors for Highly Efficient White and NIR Hybrid Light-Emitting Diodes [2020]
The Activation Strain Model in the Light of Real Space Energy Partitions [2020]
Long-living and highly efficient bio-hybrid light-emitting diodes with zero-thermal-quenching biophosphors [2020]
Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller–Plesset energy [2020]
DFT performance in the IQA energy partition of small water clusters [2020]
Bond Order Densities in Real Space [2020]
Alkali and Alkaline-Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition [2020]
Tetrel interactions from an interacting quantum atoms perspective [2019]
Reply to the 'Comment on "decoding real space bonding descriptors in valence bond language"' by S. Shaik, P. Hiberty and D. Danovich,: Phys. Chem. Chem. Phys., 2019, 21, DOI: 10.1039/C8CP07225F [2019]
Quantum dynamical simulation of intramolecular singlet fission in covalently coupled pentacene dimers [2019]
Pressure-induced spin transition and site-selective metallization in CoCl 2 [2019]
Partition of electronic excitation energies: The IQA/EOM-CCSD method [2019]
On the impact of a phosphoryl group in the recognition capabilities of 2-aminopyridines toward carboxylic acids [2019]
On Electrostatics, Covalency, and Chemical Dashes: Physical Interactions versus Chemical Bonds [2019]
Nine questions on energy decomposition analysis [2019]
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