56 papers found
Refreshing results…
Energetic descriptors of steric hindrance in real space: an improved IQA picture
Photochemistry in real space: batho‐ and hypsochromism in the water dimer
Bond Order Densities in Real Space
On the impact of a phosphoryl group in the recognition capabilities of 2-aminopyridines toward carboxylic acids
Tetrel Interactions from an Interacting Quantum Atoms Perspective
Mimicking Enzymes: Asymmetric Induction inside a Carbamate–Based Steroidal Cleft
Partition of electronic excitation energies: the IQA/EOM-CCSD method
Halogen Bonds in Clathrate Cages: A Real Space Perspective
Real-Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength
Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools
A multipolar approach to the interatomic covalent interaction energy
An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor
The bifunctional catalytic role of water clusters in the formation of acid rain
Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde
The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective
An energy partition method based on localized molecular orbitals
On the interpretation of domain averaged Fermi hole analyses of correlated wavefunctions
JP049305g
Electron number distribution functions with iterative Hirshfeld atoms
ChemInform Abstract: Chemical Bonding in Group III Nitrides.
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