Theoretical & Computational Chemistry
recent publications
2022
An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers.
Ferro-Costas, D., Cordeiro, M. N. D. S., & Fernández-Ramos, A.
Physical chemistry chemical physics : PCCP, 24(5), 3043-3058. 2022
2022
Dissymmetric Chiral Poly(diphenylacetylene)s: Secondary Structure Elucidation and Dynamic Luminescence
Tarrío, J. J., Rodríguez, R., Fernández, B., Quiñoá, E., & Freire, F.
2022
Electrostatic penetration effects stand at the heart of aromatic π interactions
Cabaleiro-Lago, E. M., Rodríguez-Otero, J., & Vázquez, S. A.
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