Calero S - Search Results

1

Force field parametrization through fitting on inflection points in isotherms.

Dubbeldam D, Calero S, Vlugt TJ, Krishna R, Maesen TL, Beerdsen E, Smit B. Dubbeldam D, et al. Among authors: calero s. Phys Rev Lett. 2004 Aug 20;93(8):088302. doi: 10.1103/PhysRevLett.93.088302. Epub 2004 Aug 20. Phys Rev Lett. 2004. PMID: 15447231

2

Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations.

Pols M, van Duin ACT, Calero S, Tao S. Pols M, et al. Among authors: calero s. J Phys Chem C Nanomater Interfaces. 2024 Feb 23;128(9):4111-4118. doi: 10.1021/acs.jpcc.4c00563. eCollection 2024 Mar 7. J Phys Chem C Nanomater Interfaces. 2024. PMID: 38476824 Free PMC article.

3

How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields.

Pols M, Brouwers V, Calero S, Tao S. Pols M, et al. Among authors: calero s. Chem Commun (Camb). 2023 Apr 13;59(31):4660-4663. doi: 10.1039/d3cc00953j. Chem Commun (Camb). 2023. PMID: 36994486

4

An Efficient Strategy for Electroreduction Reactor Outlet Fractioning into Valuable Products.

Bessa MCN, Luna-Triguero A, Vicent-Luna JM, Carmo PMOC, Tsampas MN, Ribeiro AM, Rodrigues AE, Calero S, Ferreira AFP. Bessa MCN, et al. Among authors: calero s. Ind Eng Chem Res. 2023 May 26;62(22):8847-8863. doi: 10.1021/acs.iecr.3c00090. eCollection 2023 Jun 7. Ind Eng Chem Res. 2023. PMID: 37304910 Free PMC article.

5

TAMOF-1 as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures.

Núñez-Rico JL, Cabezas-Giménez J, Lillo V, Balestra SRG, Galán-Mascarós JR, Calero S, Vidal-Ferran A. Núñez-Rico JL, et al. Among authors: calero s. ACS Appl Mater Interfaces. 2023 Aug 23;15(33):39594-39605. doi: 10.1021/acsami.3c08843. Epub 2023 Aug 14. ACS Appl Mater Interfaces. 2023. PMID: 37579193

6

Defect-induced tuning of polarity-dependent adsorption in hydrophobic-hydrophilic UiO-66.

Jajko G, Calero S, Kozyra P, Makowski W, Sławek A, Gil B, Gutiérrez-Sevillano JJ. Jajko G, et al. Among authors: calero s. Commun Chem. 2022 Oct 7;5(1):120. doi: 10.1038/s42004-022-00742-z. Commun Chem. 2022. PMID: 36697947 Free PMC article.

7

On the Use of Water and Methanol with Zeolites for Heat Transfer.

Madero-Castro RM, Luna-Triguero A, Sławek A, Vicent-Luna JM, Calero S. Madero-Castro RM, et al. Among authors: calero s. ACS Sustain Chem Eng. 2023 Mar 8;11(11):4317-4328. doi: 10.1021/acssuschemeng.2c05369. eCollection 2023 Mar 20. ACS Sustain Chem Eng. 2023. PMID: 36970114 Free PMC article.

8

Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields.

Pols M, Brouwers V, Calero S, Tao S. Pols M, et al. Among authors: calero s. Chem Commun (Camb). 2024 Mar 5;60(20):2816. doi: 10.1039/d4cc90066a. Chem Commun (Camb). 2024. PMID: 38391028

9

Entropy effects during sorption of alkanes in zeolites.

Krishna R, Smit B, Calero S. Krishna R, et al. Among authors: calero s. Chem Soc Rev. 2002 May;31(3):185-94. doi: 10.1039/b101267n. Chem Soc Rev. 2002. PMID: 12122643 Free article.

10

Understanding zeolite catalysis: inverse shape selectivity revised.

Schenk M, Calero S, Maesen TL, van Benthem LL, Verbeek MG, Smit B. Schenk M, et al. Among authors: calero s. Angew Chem Int Ed Engl. 2002 Jul 15;41(14):2499-502. doi: 10.1002/1521-3773(20020715)41:14<2499::AID-ANIE2499>3.0.CO;2-T. Angew Chem Int Ed Engl. 2002. PMID: 12203514 Free article. No abstract available.

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