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The Journal of Physical Chemistry. A|July 31, 2012
A recipe for geometry optimization of diradicalar singlet states from broken-symmetry calculationsJean-Paul Malrieu, Georges Trinquier
The Journal of Physical Chemistry. A|December 17, 2024
In Search of Entangled Singlet Pure DiradicalsGeorges Trinquier, Jean-Paul Malrieu
The Journal of Physical Chemistry. A|December 23, 2017
Predicting the Open-Shell Character of Polycyclic Hydrocarbons in Terms of Clar SextetsGeorges Trinquier, Jean-Paul Malrieu
The Journal of Physical Chemistry. A|December 10, 2016
Can a Topological Approach Predict Spin-Symmetry Breaking in Conjugated Hydrocarbons?Jean-Paul Malrieu, Georges Trinquier
The Journal of Chemical Physics|June 10, 2016
Communication: Proper use of broken-symmetry calculations in antiferromagnetic polyradicalsJean-Paul Malrieu, Georges Trinquier
Physical Chemistry Chemical Physics : PCCP|October 6, 2017
Spreading out spin density in polyphenalenyl radicalsGeorges Trinquier, Jean-Paul Malrieu
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 4, 2014
Kekulé versus Lewis: when aromaticity prevents electron pairing and imposes polyradical characterGeorges Trinquier, Jean-Paul Malrieu
Langmuir : the ACS Journal of Surfaces and Colloids|September 27, 2014
Surfaces of a colloidal iron nanoparticle in its chemical environment: a DFT descriptionGuntram Fischer, Romuald Poteau, Sébastien Lachaize, et al.
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