41 papers found
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Cover Feature: Where Does Electron Correlation Lie? Some Answers from a Real Space Partition (ChemPhysChem 24/2017)
Where Does Electron Correlation Lie? Some Answers from a Real Space Partition
A multipolar approach to the interatomic covalent interaction energy
An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor
Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition
Decay rate of real space delocalization measures: a comparison between analytical and test systems
Hydrogen bond cooperativity and anticooperativity within the water hexamer
Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach
Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities
How Electronic Excitation Can be Used to Inhibit Some Mechanisms Associated to Substituent Effects
Efficient algorithms for Hirshfeld-I charges
One-Electron Images in Real Space: Natural Adaptive Orbitals
Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory
An energy partition method based on localized molecular orbitals
Revisiting the carbonyl n→π* electronic excitation through topological eyes: expanding, enriching and enhancing the chemical language using electron number distribution functions and domain averaged Fermi holes
Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach
Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices
Beyond Standard Charge Density Topological Analyses
Bond Paths as Privileged Exchange Channels
Algunas consideraciones de requisitos de calidad para las unidades de auditoría interna en las instituciones públicas del gobierno central.
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