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Johanna Klein
Johanna Klein
其他姓名Johanna Klein Goffin, Johanna Goffin
QbitSoft
在 qbit-soft.com 的电子邮件经过验证
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引用次数
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New way for probing bond strength
J Klein, H Khartabil, JC Boisson, J Contreras-García, JP Piquemal, ...
The Journal of Physical Chemistry A 124 (9), 1850-1860, 2020
1782020
IGMPlot: A program to identify, characterize, and quantify molecular interactions
C Lefebvre, J Klein, H Khartabil, JC Boisson, E Hénon
Journal of computational chemistry 44 (20), 1750-1766, 2023
282023
Novel approach to accurately predict bond strength and ligand lability in platinum-based anticancer drugs
M Ponce-Vargas, J Klein, E Hénon
Dalton Transactions 49 (36), 12632-12642, 2020
182020
New insights in chemical reactivity from quantum chemical topology
J Klein, P Fleurat‐Lessard, J Pilmé
Journal of Computational Chemistry 42 (12), 840-854, 2021
102021
The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair
J Klein, P Fleurat-Lessard, J Pilmé
Molecules 26 (11), 3336, 2021
42021
Exploring the Reactivity of Donor-Acceptor Systems through a Combined Conceptual and Constrained DFT Approach
J Klein, Johanna, Pilmé
Journal of Chemical Theory and Computation 20 (5), 2010-2021, 2024
12024
Description et prédiction de processus réactifs par l'analyse topologique de fonctions de localisation électroniques
J Klein
Sorbonne Université, 2022
2022
Introducing the Bond Asymmetry Factor: a New Concept for Probing Chemical Bonds under Perturbations
C Lefebvre, J Klein, H Khartabil, JP Piquemal, E Hénon
2021
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