Boto RA - Search Results

1

Sulfites detection by surface-enhanced Raman spectroscopy: A feasibility study.

Villar A, Merino S, Boto RA, Aizpurua J, Garcia A, Azkune M, Zubia J. Villar A, et al. Among authors: boto ra. Spectrochim Acta A Mol Biomol Spectrosc. 2023 Nov 5;300:122899. doi: 10.1016/j.saa.2023.122899. Epub 2023 May 20. Spectrochim Acta A Mol Biomol Spectrosc. 2023. PMID: 37262972

2

Addressing molecular optomechanical effects in nanocavity-enhanced Raman scattering beyond the single plasmonic mode.

Zhang Y , Esteban R , Boto RA , Urbieta M , Arrieta X , Shan C , Li S , Baumberg JJ , Aizpurua J . Zhang Y , et al. Among authors: boto ra. Nanoscale. 2021 Jan 28;13(3):1938-1954. doi: 10.1039/d0nr06649d. Nanoscale. 2021. PMID: 33442716

3

Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses.

Wieduwilt EK, Boto RA, Macetti G, Laplaza R, Contreras-García J, Genoni A. Wieduwilt EK, et al. Among authors: boto ra. J Chem Theory Comput. 2023 Feb 14;19(3):1063-1079. doi: 10.1021/acs.jctc.2c01092. Epub 2023 Jan 19. J Chem Theory Comput. 2023. PMID: 36656682 Free article.

4

Steric clash in real space: biphenyl revisited.

Laplaza R, Boto RA, Contreras-García J, Montero-Campillo MM. Laplaza R, et al. Among authors: boto ra. Phys Chem Chem Phys. 2020 Sep 30;22(37):21251-21256. doi: 10.1039/d0cp03359f. Phys Chem Chem Phys. 2020. PMID: 32935706

5

NCIPLOT4: Fast, Robust, and Quantitative Analysis of Noncovalent Interactions.

Boto RA, Peccati F, Laplaza R, Quan C, Carbone A, Piquemal JP, Maday Y, Contreras-Garcı A J. Boto RA, et al. J Chem Theory Comput. 2020 Jul 14;16(7):4150-4158. doi: 10.1021/acs.jctc.0c00063. Epub 2020 Jun 12. J Chem Theory Comput. 2020. PMID: 32470306

6

Exchange Rules for Diradical π-Conjugated Hydrocarbons.

Ortiz R, Boto RA, García-Martínez N, Sancho-García JC, Melle-Franco M, Fernández-Rossier JN. Ortiz R, et al. Among authors: boto ra. Nano Lett. 2019 Sep 11;19(9):5991-5997. doi: 10.1021/acs.nanolett.9b01773. Epub 2019 Aug 12. Nano Lett. 2019. PMID: 31365266

7

Nine questions on energy decomposition analysis.

Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, Contreras-García J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á, Matito E, Mayer I, Misquitta AJ, Mo Y, Pilmé J, Popelier PLA, Rahm M, Ramos-Cordoba E, Salvador P, Schwarz WHE, Shahbazian S, Silvi B, Solà M, Szalewicz K, Tognetti V, Weinhold F, Zins ÉL. Andrés J, et al. Among authors: boto ra. J Comput Chem. 2019 Oct 5;40(26):2248-2283. doi: 10.1002/jcc.26003. Epub 2019 Jun 28. J Comput Chem. 2019. PMID: 31251411

8

Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates.

Calbo J, Aragó J, Boto RA, Sánchez-Marín J, Ortí E, Contreras-García J. Calbo J, et al. Among authors: boto ra. J Phys Chem A. 2018 Feb 1;122(4):1124-1137. doi: 10.1021/acs.jpca.7b11746. Epub 2018 Jan 17. J Phys Chem A. 2018. PMID: 29266944

9

How strong are the metallocene-metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene.

Vargas-Caamal A, Pan S, Ortiz-Chi F, Cabellos JL, Boto RA, Contreras-Garcia J, Restrepo A, Chattaraj PK, Merino G. Vargas-Caamal A, et al. Among authors: boto ra. Phys Chem Chem Phys. 2016 Jan 7;18(1):550-6. doi: 10.1039/c5cp05956a. Epub 2015 Nov 30. Phys Chem Chem Phys. 2016. PMID: 26618629

10

Characterizing Molecular Interactions in Chemical Systems.

Günther D, Boto RA, Contreras-Garcia J, Piquemal JP, Tierny J. Günther D, et al. Among authors: boto ra. IEEE Trans Vis Comput Graph. 2014 Dec;20(12):2476-85. doi: 10.1109/TVCG.2014.2346403. IEEE Trans Vis Comput Graph. 2014. PMID: 26356961

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