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Excitation Dynamics in Hetero-bichromophoric Calixarene Systems.
Chemphyschem. 2016 Jun 3;17(11):1686-706. doi: 10.1002/cphc.201501065. Epub 2016 Mar 15.
Chemphyschem. 2016.
PMID: 26867716
Combination of transient 2D-IR experiments and ab initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids.
Di Donato M, Segado Centellas M, Lapini A, Lima M, Avila F, Santoro F, Cappelli C, Righini R.
Di Donato M, et al. Among authors: segado centellas m.
J Phys Chem B. 2014 Aug 14;118(32):9613-30. doi: 10.1021/jp505473j. Epub 2014 Aug 4.
J Phys Chem B. 2014.
PMID: 25050938
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Radical recombination in interstellar ices, a not so simple mechanism.
Butscher T, Duvernay F, Rimola A, Segado-Centellas M, Chiavassa T.
Butscher T, et al. Among authors: segado centellas m.
Phys Chem Chem Phys. 2017 Jan 25;19(4):2857-2866. doi: 10.1039/c6cp07024h.
Phys Chem Chem Phys. 2017.
PMID: 28071777
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POMSimulator: An open-source tool for predicting the aqueous speciation and self-assembly mechanisms of polyoxometalates.
Petrus E, Buils J, Garay-Ruiz D, Segado-Centellas M, Bo C.
Petrus E, et al. Among authors: segado centellas m.
J Comput Chem. 2024 Jun 3. doi: 10.1002/jcc.27389. Online ahead of print.
J Comput Chem. 2024.
PMID: 38826122
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Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium, and Tantalum Oxide Nanoclusters in Solution.
Petrus E, Segado-Centellas M, Bo C.
Petrus E, et al. Among authors: segado centellas m.
Inorg Chem. 2022 Sep 5;61(35):13708-13718. doi: 10.1021/acs.inorgchem.2c00925. Epub 2022 Aug 23.
Inorg Chem. 2022.
PMID: 35998382
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Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation.
Elliott A, McAllister J, Masaityte L, Segado-Centellas M, Long DL, Ganin AY, Song YF, Bo C, Miras HN.
Elliott A, et al. Among authors: segado centellas m.
Chem Commun (Camb). 2022 Jun 16;58(49):6906-6909. doi: 10.1039/d2cc01226j.
Chem Commun (Camb). 2022.
PMID: 35642784
Free article.
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