Roberto A. Boto
Affiliations: | 2013-2016 | Chemistry | Université Pierre et Marie Curie, Paris, Île-de-France, France |
| 2016- | Materials | Universidade de Aveiro |
Website:
http://www.ciceco.ua.pt/index.php?tabela=pessoaldetail&menu=220&user=1357Google:
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Parents
Sign in to add mentor| Julia Contreras-Garcia | grad student | 2013-2016 | CNRS - Université Pierre et Marie Curie | |
| (Development of the NCI method : High performance optimization and visualization) | ||||
| Jean-Philip Piquemal | grad student | 2013-2016 | Université Pierre et Marie Curie | |
| (Development of the NCI method : High performance optimization and visualization) | ||||
| Manuel Melle-Franco | post-doc | 2016- | ||
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Publications
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| Wieduwilt EK, Boto RA, Macetti G, et al. (2023) Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of Chemical Theory and Computation |
| Laplaza R, Boto RA, Contreras-García J, et al. (2020) Steric clash in real space: biphenyl revisited. Physical Chemistry Chemical Physics : Pccp |
| Boto RÁ, Peccati F, Laplaza R, et al. (2020) NCIPLOT4: fast, robust and quantitative analysis of noncovalent interactions. Journal of Chemical Theory and Computation |
| Laplaza R, Peccati F, Boto RA, et al. (2020) NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient Wiley Interdisciplinary Reviews: Computational Molecular Science |
| Ortiz R, Boto RÁ, García-Martínez N, et al. (2019) Exchange rules for diradical π-conjugated hydrocarbons. Nano Letters |
| Andrés J, Ayers PW, Boto RA, et al. (2019) Nine questions on energy decomposition analysis. Journal of Computational Chemistry |
| Calbo J, Aragó J, Boto RA, et al. (2017) Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates. The Journal of Physical Chemistry. A |
| Boto RA, Piquemal J, Contreras-García J. (2017) Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds Theoretical Chemistry Accounts. 136 |
| Contreras-García J, Boto RA, Izquierdo-Ruiz F, et al. (2016) A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry? Theoretical Chemistry Accounts. 135 |
| Vargas-Caamal A, Pan S, Ortiz-Chi F, et al. (2015) How strong are the metallocene-metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene. Physical Chemistry Chemical Physics : Pccp |