Juan José Gamboa‐Carballo

Structures and stabilities of naturally occurring cyclodextrins: a theoretical study of symmetrical conformers

J. Levalois-Grützmacher, S. Gaspard, U. Jáuregui-Haza, 2017, Journal of Molecular Modeling.

Guest-host complexes of 1-iodochlordecone and β-1-iodo-pentachlorocyclohexane with cyclodextrins as radiotracers of organochlorine pesticides in polluted water

S. Gaspard, U. Jáuregui-Haza, Anthuan Ferino-Pérez, 2020, Environmental Science and Pollution Research.

Theoretical Evaluation of the Molecular Inclusion Process between Chlordecone and Cyclodextrins: A New Method for Mitigating the Basis Set Superposition Error in the Case of an Implicit Solvation Model

Sarra Gaspard, Juan José Gamboa-Carballo, Anthuan Ferino-Pérez, 2020, J. Chem. Inf. Model..

Evaluation of the molecular inclusion process of β-hexachlorocyclohexane in cyclodextrins

J. Levalois-Grützmacher, S. Gaspard, Y. Bercion, 2019, RSC advances.

Coordination-induced polymerization of P═C bonds leads to regular (P─C)n polycarbophosphanes

Yinyin Bao, H. Grützmacher, Grégoire Le Corre, 2021, Science Advances.

Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions.

Juan José Gamboa-Carballo, S. Gaspard, U. Jáuregui-Haza, 2016, Journal of molecular graphics & modelling.

Remarkable stability of a molecular ruthenium complex in PEM water electrolysis

Juan José Gamboa-Carballo, F. Krumeich, M. Wörle, 2022, Chemical Science.