E-LIB Suche - Ergebnisse für: Hagebaum-Reignier, Denis

1

Conformational, Structural, and Chiroptical Properties of a..:

Artigas, Albert ; Ferdi, Nawal ; Rémond, Maxime...
The Journal of Organic Chemistry. 89 (2023) 1 - p. 498-504 , 2023

2

Overcrowded Triply Fused Carbo[7]helicene:

Artigas, Albert ; Rigoulet, Florian ; Giorgi, Michel...
Journal of the American Chemical Society. 145 (2023) 28 - p. 15084-15087 , 2023

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

3

Resonant Ionic, Covalent Bond, and Steric Characteristics P..:

Ahn Furudate, Michiko ; Hagebaum-Reignier, Denis ; Kim, Jin-Tae.
Molecules. 27 (2022) 11 - p. 3514 , 2022

Link: https://doi.org/10.3390/..

4

Accurate computed singlet–triplet energy differences for co..:

Chaussy, Léo ; Hagebaum-Reignier, Denis ; Humbel, Stéphane.
Physical Chemistry Chemical Physics. 24 (2022) 36 - p. 21841-21852 , 2022

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

5

Synthesis, Photophysical Properties, and Aromaticity of Pyr..:

Gutierrez, Vincent S. ; Arnault, Axel ; Ferreira, Véronique...
The Journal of Organic Chemistry. 87 (2022) 21 - p. 13653-13662 , 2022

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

6

BenzAI: A Program to Design Benzenoids with Defined Propert..:

Varet, Adrien ; Prcovic, Nicolas ; Terrioux, Cyril..
Journal of Chemical Information and Modeling. 62 (2022) 11 - p. 2811-2820 , 2022

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

7

How constraint programming can help chemists to generate Be..:

Carissan, Yannick ; Hagebaum-Reignier, Denis ; Prcovic, Nicolas..
Constraints. 27 (2022) 3 - p. 192-248 , 2022

Link: https://doi.org/10.1007/..

8

Visualizing electron delocalization in contorted polycyclic..:

Artigas, Albert ; Hagebaum-Reignier, Denis ; Carissan, Yannick.
Chemical Science. 12 (2021) 39 - p. 13092-13100 , 2021

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

9

Computing the Local Aromaticity of Benzenoids Thanks to Con..:

, In: Lecture Notes in Computer Science; Principles and Practice of Constraint Programming,

Carissan, Yannick ; Dim, Chisom-Adaobi ; Hagebaum-Reignier, Denis... - p. 673-689 , 2020

Link: https://doi.org/10.1007/..

10

Using Constraint Programming to Generate Benzenoid Structur..:

, In: Lecture Notes in Computer Science; Principles and Practice of Constraint Programming,

Carissan, Yannick ; Hagebaum-Reignier, Denis ; Prcovic, Nicolas.. - p. 690-706 , 2020

Link: https://doi.org/10.1007/..

11

Full-Dimensional Ab Initio Potential Energy Surface and Vib..:

Ahn Furudate, Michiko ; Hagebaum-Reignier, Denis ; Jeung, Gwang-Hi
Molecules. 24 (2018) 1 - p. 26 , 2018

Link: https://doi.org/10.3390/..

12

Study on chemical kinetics of HTO + H2 → H2O + HT for desig..:

Furudate, Michiko Ahn ; Cho, Seungyon ; Hagebaum-Reignier, Denis
Fusion Engineering and Design. 136 (2018) - p. 438-441 , 2018

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

13

A generalized Brillouin theorem (GBT)-like implementation t..:

Racine, Julien ; Carissan, Yannick ; Hagebaum-Reignier, Denis.
Computational and Theoretical Chemistry. 1116 (2017) - p. 184-189 , 2017

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

14

Potential energy surfaces of the electronic states of Li2F ..:

Bhowmick, Somnath ; Hagebaum-Reignier, Denis ; Jeung, Gwang-Hi
The Journal of Chemical Physics. 145 (2016) 3 - p. , 2016

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

15

HuLiS, a program to teach mesomerism and more:

Carissan, Yannick ; Goudard, Nicolas ; Hagebaum-Reignier, Denis.
Journal of Physics: Conference Series. 738 (2016) - p. 012015 , 2016

Link: https://doi.org/10.1088/..