| 1 |
Magnetic Coupling in the Ce(III) Dimer Ce-2(COT)(3)
Gendron F, Autschbach J, Malrieu JP, Bolvin H
Inorganic Chemistry, 58(1), 581, 2019 |
| 2 |
Predicting the Open-Shell Character of Polycyclic Hydrocarbons in Terms of Clar Sextets
Trinquier G, Malrieu JP
Journal of Physical Chemistry A, 122(4), 1088, 2018 |
| 3 |
Qualitative Views on the Polyradical Character of Long Acenes
Trinquier G, David G, Malrieu JP
Journal of Physical Chemistry A, 122(34), 6926, 2018 |
| 4 |
Can a Topological Approach Predict Spin-Symmetry Breaking in Conjugated Hydrocarbons?
Malrieu JP, Trinquier G
Journal of Physical Chemistry A, 120(48), 9564, 2016 |
| 5 |
In Search of a Rational Dressing of Intermediate Effective Hamiltonians
Pradines B, Suaud N, Malrieu JP
Journal of Physical Chemistry A, 119(21), 5207, 2015 |
| 6 |
Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians
Malrieu JP, Caballol R, Calzado CJ, de Graaf C, Guihery N
Chemical Reviews, 114(1), 429, 2014 |
| 7 |
Singly Occupied MOs in Mono- and Diradical Conjugated Hydrocarbons: Comparison between Variational Single-Reference, pi-Fully Correlated and Huckel Descriptions
Suaud N, Ruamps R, Malrieu JP, Guihery N
Journal of Physical Chemistry A, 118(31), 5876, 2014 |
| 8 |
Ability of a coupled electron pair approximation to treat single bond breakings
Malrieu JP, Zhang HJ, Ma J
Chemical Physics Letters, 493(1-3), 179, 2010 |
| 9 |
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the pi-Delocalization Energy Distortivity of Benzene
Angeli C, Malrieu JP
Journal of Physical Chemistry A, 112(45), 11481, 2008 |
| 10 |
Direct Evaluation of Cyclic Contributions to the pi Energy of Conjugated Hydrocarbons from Strongly Localized Zero-Order Pictures
Malrieu JP, Gicquel M, Fowler PW, Lepetit C, Heully JL, Chauvin R
Journal of Physical Chemistry A, 112(50), 13203, 2008 |
