Paul L. A. Popelier | QTCOVI – Theoretical and Computational Chemistry

Paul L. A. Popelier | QTCOVI – Theoretical and Computational Chemistryhttps://qtcovi.github.io/author/paul-l.-a.-popelier/Paul L. A. PopelierHugo Blox Builder (https://hugoblox.com)en-usMon, 01 Jan 2024 00:00:00 +0000https://qtcovi.github.io/media/icon_hu11734318148517933569.pngPaul L. A. Popelierhttps://qtcovi.github.io/author/paul-l.-a.-popelier/An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptorshttps://qtcovi.github.io/publication/2024-an-unsupervised-machine-learning-approach-for-the-automatic-construction-of-loca/Mon, 01 Jan 2024 00:00:00 +0000https://qtcovi.github.io/publication/2024-an-unsupervised-machine-learning-approach-for-the-automatic-construction-of-loca/Revitalizing the concept of bond order through delocalization measures in real spacehttps://qtcovi.github.io/publication/2018-revitalizing-the-concept-of-bond-order-through-delocalization-measures-in-real-s/Mon, 01 Jan 2018 00:00:00 +0000https://qtcovi.github.io/publication/2018-revitalizing-the-concept-of-bond-order-through-delocalization-measures-in-real-s/Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT)https://qtcovi.github.io/publication/2016-extension-of-the-interacting-quantum-atoms-iqa-approach-to-b3lyp-level-density-f/Fri, 01 Jan 2016 00:00:00 +0000https://qtcovi.github.io/publication/2016-extension-of-the-interacting-quantum-atoms-iqa-approach-to-b3lyp-level-density-f/Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphshttps://qtcovi.github.io/publication/2013-domain-averaged-exchange-correlation-energies-as-a-physical-underpinning-for-che/Tue, 01 Jan 2013 00:00:00 +0000https://qtcovi.github.io/publication/2013-domain-averaged-exchange-correlation-energies-as-a-physical-underpinning-for-che/Nature of Chemical Interactions from the Profiles of Electron Delocalization Indiceshttps://qtcovi.github.io/publication/2011-nature-of-chemical-interactions-from-the-profiles-of-electron-delocalization-ind/Sat, 01 Jan 2011 00:00:00 +0000https://qtcovi.github.io/publication/2011-nature-of-chemical-interactions-from-the-profiles-of-electron-delocalization-ind/