Can the current density map topology be extracted from the nucleus independent chemical shifts?

Sofie Van Damme, Guillaume Acke, Remco W. A. Havenith, +1

Physical Chemistry Chemical Physics

Current Density MapsEngineeringPhysicsAromatic CompoundsCurrent Density +11

Polyaddition Synthesis Using Alkyne Esters for the Design of Vinylogous Urethane Vitrimers

Yann Spiesschaert, Jens Danneels, Niels Van Herck, +4

Macromolecules

Interpreting the behavior of the by resolving in orbitals, sign, and positions

Guillaume Acke, Sofie Van Damme, Remco W. A. Havenith, +1

Journal of Computational Chemistry

EngineeringPhysicsNatural SciencesApplied PhysicsAtomic Physics +9

Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods

Patrick Bultinck, Dimitri Van Neck, Guillaume Acke, +1

Physical Chemistry Chemical Physics

Quantum Chemical MethodsEngineeringMany-body Quantum PhysicComputational ChemistryChemistry +15

Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density

Guillaume Acke, Sofie Van Damme, Remco W. A. Havenith, +1

Physical Chemistry Chemical Physics

GQCP: The Ghent Quantum Chemistry Package

Laurent Lemmens, Xeno De Vriendt, Daria Van Hende, +3

The Journal of Chemical Physics

Crosstalk between glucocorticoid and mineralocorticoid receptors boosts glucocorticoid-induced killing of multiple myeloma cells

Dorien Clarisse, Stefan Preković, Philip Vlummens, +9

Cellular and Molecular Life Sciences

Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices

Helen van Aggelen, Brecht Verstichel, Guillaume Acke, +4

Computational and Theoretical Chemistry

Quantum ScienceExcited State PropertyEngineeringSecond-order Density MatricesPhysics +11

Maximum probability domains for Hubbard models

Guillaume Acke, Stijn De Baerdemacker, Pieter W. Claeys, +4

Molecular Physics

Hubbard ModelsQuantum ScienceQuantum Lattice SystemEngineeringQuantum Computing +11

Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism

Tom Vermeyen, Jure Brence, Robin Van Echelpoel, +4

Physical Chemistry Chemical Physics