E-LIB Suche - Ergebnisse für: Trinquier, Georges

1

On Entangled Singlet Pure Diradicals:

Trinquier, Georges ; David, Grégoire ; Veillon, Elohan.
The Journal of Physical Chemistry A. 128 (2024) 21 - p. 4252-4267 , 2024

Link: https://doi.org/10.1021/..

2

Difficulty of the evaluation of the barrier height of an op..:

David, Grégoire ; Ben Amor, Nadia ; Zeng, Tao...
The Journal of Chemical Physics. 156 (2022) 22 - p. , 2022

Link: https://doi.org/10.1063/..

3

Consistent spin decontamination of broken-symmetry calculat..:

David, Grégoire ; Trinquier, Georges ; Malrieu, Jean-Paul
The Journal of Chemical Physics. 153 (2020) 19 - p. , 2020

Link: https://doi.org/10.1063/..

4

Erratum: "Spin polarization as an electronic cooperative ef..:

Ben Amor, Nadia ; Trinquier, Georges ; Malrieu, Jean-Paul
The Journal of Chemical Physics. 153 (2020) 24 - p. , 2020

Link: https://doi.org/10.1063/..

5

Spin polarization as an electronic cooperative effect:

Ben Amor, Nadia ; Noûs, Camille ; Trinquier, Georges.
The Journal of Chemical Physics. 153 (2020) 4 - p. 044118 , 2020

Link: https://doi.org/10.1063/..

6

Improved evaluation of spin-polarization energy contributio..:

David, Grégoire ; Ferré, Nicolas ; Trinquier, Georges.
The Journal of Chemical Physics. 153 (2020) 5 - p. , 2020

Link: https://doi.org/10.1063/..

7

Dodecacene Generated on Surface: Reopening of the Energy Ga:

Eisenhut, Frank ; Kühne, Tim ; García, Fátima...
ACS Nano. 14 (2019) 1 - p. 1011-1017 , 2019

Link: https://doi.org/10.1021/..

8

Oxidative addition of carbon dioxide into mesoionics:

Mathieu, Simon ; Trinquier, Georges
Physical Chemistry Chemical Physics. 21 (2019) 10 - p. 5531-5565 , 2019

Link: https://doi.org/10.1039/..

9

Predicting the Open-Shell Character of Polycyclic Hydrocarb..:

Trinquier, Georges ; Malrieu, Jean-Paul
The Journal of Physical Chemistry A. 122 (2018) 4 - p. 1088-1103 , 2018

Link: https://doi.org/10.1021/..

10

Qualitative Views on the Polyradical Character of Long Acen..:

Trinquier, Georges ; David, Grégoire ; Malrieu, Jean-Paul
The Journal of Physical Chemistry A. 122 (2018) 34 - p. 6926-6933 , 2018

Link: https://doi.org/10.1021/..

11

Electronic Resonances and Gap Stabilization of Higher Acene..:

Krüger, Justus ; Eisenhut, Frank ; Skidin, Dmitry...
ACS Nano. 12 (2018) 8 - p. 8506-8511 , 2018

Link: https://doi.org/10.1021/..

12

PAH chemistry at eV internal energies. 2. Ring alteration a..:

Trinquier, Georges ; Simon, Aude ; Rapacioli, Mathias.
Molecular Astrophysics. 7 (2017) - p. 37-59 , 2017

Link: https://doi.org/10.1016/..

13

Spreading out spin density in polyphenalenyl radicals:

Trinquier, Georges ; Malrieu, Jean-Paul
Phys. Chem. Chem. Phys.. 19 (2017) 40 - p. 27623-27642 , 2017

Link: https://doi.org/10.1039/..

14

PAH chemistry at eV internal energies. 1. H-shifted isomers:

Trinquier, Georges ; Simon, Aude ; Rapacioli, Mathias.
Molecular Astrophysics. 7 (2017) - p. 27-36 , 2017

Link: https://doi.org/10.1016/..

15

Towards Magnetic Carbo‐meric Molecular Materials:

Poidevin, Corentin ; Malrieu, Jean‐Paul ; Trinquier, Georges...
Chemistry – A European Journal. 22 (2016) 15 - p. 5295-5308 , 2016

Link: https://doi.org/10.1002/..