المؤلفون: Pilar Escribano, Juan Ródenas, Manuel García, Miguel A. Arias, Víctor M. Hidalgo, Sofía Calero, José J. Rieta, Raúl Alcaraz

المصدر: Heliyon, Vol 10, Iss 3, Pp e25295- (2024)

مصطلحات موضوعية: Catheter ablation, Atrial fibrillation, Electrocardiogram, Fibrillatory waves, Spectral analysis, Time-domain analysis, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405844024013264; https://doaj.org/toc/2405-8440

URL الوصول: https://doaj.org/article/36e3092102e144979b1c41af618e0b8d

المؤلفون: Eva María Cirugeda Roldan, Sofía Calero, Víctor Manuel Hidalgo, José Enero, José Joaquín Rieta, Raúl Alcaraz

المصدر: Entropy, Vol 22, Iss 7, p 748 (2020)

مصطلحات موضوعية: atrial fibrillation, electrocardiogram, electrical cardioversion, sample entropy, multiscale entropy, composite multiscale entropy, Science, Astrophysics, QB460-466, Physics, QC1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1099-4300/22/7/748; https://doaj.org/toc/1099-4300

URL الوصول: https://doaj.org/article/b2c35dd8ea694985803ab2efa910683f

المؤلفون: Rocío Bueno-Pérez, Elena García-Pérez, Juan José Gutiérrez-Sevillano, Patrick J. Merkling, Sofía Calero

المصدر: Adsorption Science & Technology, Vol 28 (2010)

مصطلحات موضوعية: Physical and theoretical chemistry, QD450-801

وصف الملف: electronic resource

Relation: https://doaj.org/toc/0263-6174; https://doaj.org/toc/2048-4038

URL الوصول: https://doaj.org/article/d960ada848204854b52e10b5a41661a1

المؤلفون: Almudena García-Sánchez, Elena García-Pérez, David Dubbeldam, Rajamani Krishna, Sofía Calero

المصدر: Adsorption Science & Technology, Vol 25 (2007)

مصطلحات موضوعية: Physical and theoretical chemistry, QD450-801

وصف الملف: electronic resource

Relation: https://doaj.org/toc/0263-6174; https://doaj.org/toc/2048-4038

URL الوصول: https://doaj.org/article/a0d7654b175842e088b2fa2a50a84368

المؤلفون: Shrinjay Sharma, Richard Baur, Marcello Rigutto, Erik Zuidema, Umang Agarwal, Sofia Calero, David Dubbeldam, Thijs J. H. Vlugt

المصدر: Entropy, Vol 26, Iss 12, p 1120 (2024)

مصطلحات موضوعية: entropy, linear regression, alkanes, hydroisomerization, Science, Astrophysics, QB460-466, Physics, QC1-999

Relation: https://www.mdpi.com/1099-4300/26/12/1120; https://doaj.org/toc/1099-4300; https://doaj.org/article/a050a4970a5a4ed6896fb7bf514824e0

الاتاحة: https://doi.org/10.3390/e26121120
https://doaj.org/article/a050a4970a5a4ed6896fb7bf514824e0

المؤلفون: Mike Pols, Adri C. T. van Duin, Sofía Calero, Shuxia Tao

مصطلحات موضوعية: Biophysics, Microbiology, Cell Biology, Genetics, Biotechnology, Evolutionary Biology, Ecology, Developmental Biology, Infectious Diseases, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, smaller ionic radius, hybrid halide perovskites, reactive force field, br content lowers, perovskite yellow phase, perovskite lattice ranging, perovskite lattice plays, mixed halide perovskites, inorganic halide perovskites, 3 , force field, inorganic perovskites, inorganic perovskite, perovskites starting, perovskite reaches, x <, phase transitions, phase stability

Relation: https://figshare.com/articles/journal_contribution/Mixing_I_and_Br_in_Inorganic_Perovskites_Atomistic_Insights_from_Reactive_Molecular_Dynamics_Simulations/25274217

الاتاحة: https://doi.org/10.1021/acs.jpcc.4c00563.s003
https://figshare.com/articles/journal_contribution/Mixing_I_and_Br_in_Inorganic_Perovskites_Atomistic_Insights_from_Reactive_Molecular_Dynamics_Simulations/25274217

المؤلفون: Huan Zhang (220065), José Manuel Vicent-Luna (1735435), Shuxia Tao (5565578), Sofia Calero (1271889), Rafael J. Jiménez Riobóo (11927497), María Luisa Ferrer (2401846), Francisco del Monte (7513850), María Concepción Gutiérrez (7513847)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Biotechnology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, g ., electrostatic, excess viscosity measurements, excess molar volume, dsc studies confirmed, emimcl · 4acoh, emimcl · 3acoh, emimcl · 2acoh, deep eutectic solvents, h nmr spectroscopy, despite main interactions, two neoteric solvents, emimcl · acoh, 4 acoh molecules, based dess deviated, 1 , acoh molecules, two sides, n <, emimcl ·<, based dess, water molecules

Relation: https://figshare.com/articles/journal_contribution/Transitioning_from_Ionic_Liquids_to_Deep_Eutectic_Solvents/18130747

الاتاحة: https://doi.org/10.1021/acssuschemeng.1c06999.s001

المؤلفون: Pilar Escribano, Juan Ródenas, Manuel García, Miguel A. Arias, Víctor M. Hidalgo, Sofía Calero, José J. Rieta, Raúl Alcaraz

المصدر: Journal of Personalized Medicine; Volume 12; Issue 10; Pages: 1721

مصطلحات موضوعية: persistent atrial fibrillation, catheter ablation, outcome prediction, fibrillatory wave analysis, electrocardiogram, spectral analysis, dominant frequency, harmonic content

وصف الملف: application/pdf

Relation: Mechanisms of Diseases; https://dx.doi.org/10.3390/jpm12101721

الاتاحة: https://doi.org/10.3390/jpm12101721

المؤلفون: Gabriela Jajko, Sofia Calero, Paweł Kozyra, Wacław Makowski, Andrzej Sławek, Barbara Gil, Juan José Gutiérrez-Sevillano

المصدر: Communications Chemistry, Vol 5, Iss 1, Pp 1-9 (2022)

مصطلحات موضوعية: Chemistry, QD1-999

Relation: https://doi.org/10.1038/s42004-022-00742-z; https://doaj.org/toc/2399-3669; https://doaj.org/article/9c07be708c984372a25a5699fdf1d3e5

الاتاحة: https://doi.org/10.1038/s42004-022-00742-z
https://doaj.org/article/9c07be708c984372a25a5699fdf1d3e5

المؤلفون: Xiucheng Huang, Ana Martín-Calvo, Martijn J. J. Mulder, Sjoerd C. J. van Acht, Juan José Gutiérrez-Sevillano, Julio C. García-Navarro, Sofía Calero

المصدر: ACS Sustainable Chemistry & Engineering. 11:8020-8034

مصطلحات موضوعية: coke oven gas, topology, Renewable Energy, Sustainability and the Environment, General Chemical Engineering, hydrogen separation, Environmental Chemistry, GCMC simulation, ZIFs, adsorption selectivity, SDG 7 - Affordable and Clean Energy, General Chemistry, SDG 7 – Betaalbare en schone energie

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f86580cd302c973395da34998daa471f
https://doi.org/10.1021/acssuschemeng.2c07006

المؤلفون: Jose M. Ortiz-Roldan (11864222), Francisco Montero-Chacón (11864225), Elena Garcia-Perez (11864228), Sofía Calero (2484016), A. Rabdel Ruiz-Salvador (1543957), Said Hamad (1543945)

مصطلحات موضوعية: Biophysics, Medicine, Molecular Biology, Biotechnology, Ecology, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, SiC, Molecular Dynamics, nanocomposite, Nanoparticles, Amorphous Silicon

Relation: https://figshare.com/articles/journal_contribution/Thermostructural_Characterization_of_Silicon_Carbide_Nanocomposite_Materials_via_Molecular_Dynamics_Simulations/17321792

الاتاحة: https://doi.org/10.6084/m9.figshare.17321792.v1

المؤلفون: H. Mert Polat (8804684), Hirad S. Salehi (8742237), Remco Hens (4336966), Dominika O. Wasik (11268247), Ahmadreza Rahbari (3393593), Frédérick de Meyer (11268250), Céline Houriez (1533643), Christophe Coquelet (1434433), Sofia Calero (1271889), David Dubbeldam (1271880), Othonas A. Moultos (7306286), Thijs J. H. Vlugt (7306289)

مصطلحات موضوعية: Biophysics, Medicine, Neuroscience, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, Open Source Monte Carlo Software Br., computation, Hybrid Trial Moves, simulation code Brick-CFCMC, rotation trial moves, reaction equilibria calculations, efficiency, MD, trial moves, MC trial move, trajectorie

Relation: https://figshare.com/articles/journal_contribution/New_Features_of_the_Open_Source_Monte_Carlo_Software_Brick-CFCMC_Thermodynamic_Integration_and_Hybrid_Trial_Moves/15157933

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00652.s001

المؤلفون: Máté Erdős (5578598), Daan F. Geerdink (10126029), Ana Martin-Calvo (1780330), Evgeny A. Pidko (1370895), Leo J. P. van den Broeke (7306277), Sofia Calero (1271889), Thijs J. H. Vlugt (7306289), Othonas A. Moultos (7306286)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Biotechnology, Cancer, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, water content, zeolite, ISO, High-Pressure Hydrogen Drying, adsorption selectivity, 1 dm 3, H 2 fuel, International Zeolite Association, helium void fraction, H 2 gas, helium void fractions, MC

Relation: https://figshare.com/articles/journal_contribution/In_Silico_Screening_of_Zeolites_for_High-Pressure_Hydrogen_Drying/13872486

الاتاحة: https://doi.org/10.1021/acsami.0c20892.s001

المؤلفون: M. Nieves Corella-Ochoa, Jesús B. Tapia, Heather N. Rubin, Vanesa Lillo, Jesús González-Cobos, José Luis Núñez-Rico, Salvador R. G. Balestra, Neyvis Almora-Barrios, Marina Lledós, Arnau Güell-Bara, Juanjo Cabezas-Giménez, Eduardo C. Escudero-Adán, Anton Vidal-Ferran, Sofia Calero, Melissa Reynolds, Carlos Martí-Gastaldo, José Ramón Galán-Mascarós

Relation: https://zenodo.org/communities/eu; https://doi.org/10.5281/zenodo.5226377; https://doi.org/10.5281/zenodo.5226378; oai:zenodo.org:5226378

الاتاحة: https://doi.org/10.5281/zenodo.5226378

المؤلفون: Rafael M. Madero-Castro (10157289), Sofía Calero (7905285), A. Ozgur Yazaydin (6259877)

مصطلحات موضوعية: Nanostructured Materials - Materials, Computational Chemistry and Modeling, Transport Phenomena (Chem. Eng.), Fuels - Energy Science, dehydration, water, Bioalcohols, Separation

Relation: https://figshare.com/articles/preprint/The_Role_of_Hydrogen_Bonding_in_the_Dehydration_of_Bioalcohols_in_Hydrophobic_Pervaporation_Membranes/14049719

الاتاحة: https://doi.org/10.26434/chemrxiv.14049719.v1

المؤلفون: Carmen González-Galán, Mabel de Fez-Febré, Stefano Giancola, Jesús González-Cobos, Anton Vidal-Ferran, José Ramón Galán-Mascarós, Salvador R. G. Balestra, Sofía Calero

المساهمون: Materials Simulation & Modelling, Molecular Simulation & Modelling

المصدر: ACS Applied Materials and Interfaces, 14(27), 30772-30785. American Chemical Society
ACS Appl. Mater. Interfaces, Volume 14, nº 27, pages 30772-30785

مصطلحات موضوعية: hexane, benzene, separation, cyclohexane, xylene, TAMOF-1, VOCs, General Materials Science

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9642d8a54be597d7d1f92ba41ba0b148
https://doi.org/10.1021/acsami.2c05223

المؤلفون: Ignacio Romero-Muñiz, Carlos Romero-Muñiz, Isabel del Castillo-Velilla, Carlo Marini, Sofía Calero, Félix Zamora, Ana E. Platero-Prats

المساهمون: UAM. Departamento de Química Inorgánica, Materials Simulation & Modelling, Molecular Simulation & Modelling

المصدر: Biblos-e Archivo. Repositorio Institucional de la UAM
instname
ACS applied materials & interfaces 14(23), 27040-27047 (2022). doi:10.1021/acsami.2c04712
ACS Applied Materials and Interfaces, 14(23), 27040-27047. American Chemical Society

مصطلحات موضوعية: Vibrational spectroscopy, 3-dipolar cycloaddition, 1,3-dipolar cycloaddition, Local structure, Density functional theory calculations, General Materials Science, Química, ddc:600, Zirconium metal-organic frameworks

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd3cefab12bd19f5b9153ca0b975d9e6
https://doi.org/10.1021/acsami.2c04712

المؤلفون: Mike Pols, Victor Brouwers, Sofía Calero, Shuxia Tao

المساهمون: Materials Simulation & Modelling, Computational Materials Physics, Molecular Simulation & Modelling, Applied Physics and Science Education

المصدر: Chemical Communications, 59(31), 4660-4663. Chemical Society

مصطلحات موضوعية: Materials Chemistry, Metals and Alloys, Ceramics and Composites, General Chemistry, Catalysis, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8236a3c62a81b124ff81cb30a6ac3390
https://research.tue.nl/nl/publications/536eb880-179e-45f3-83a7-d9b8793a55c2

المؤلفون: Dominika O. Wasik, Ana Martín-Calvo, Juan José Gutiérrez-Sevillano, David Dubbeldam, Thijs J.H. Vlugt, Sofía Calero

المصدر: Chemical Engineering Journal, 467

مصطلحات موضوعية: Le Chatelier's principle, General Chemical Engineering, Porous crystals, Thermodynamic equilibrium, Environmental Chemistry, General Chemistry, Molecular simulations, Confinement effect, Industrial and Manufacturing Engineering

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12424c90bbb03e6073254d68cdefe5df
http://resolver.tudelft.nl/uuid:8ff1a430-5639-4e2e-bd47-348794d17b00

المؤلفون: Jose M. Ortiz-Roldan, Salvador R. G. Balestra, Rocio Bueno-Perez, Sofía Calero, Elena Garcia-Perez, C. Richard A. Catlow, A. Rabdel Ruiz-Salvador, Said Hamad

المساهمون: Balestra, Salvador R. G. [0000-0002-2163-2782], Ruiz-Salvador, A. Rabdel [0000-0002-2004-687X], Hamad, Said [0000-0003-4148-2344], Apollo - University of Cambridge Repository, Materials Simulation & Modelling, Molecular Simulation & Modelling, Balestra, Salvador RG [0000-0002-2163-2782], Bueno-Perez, Rocio [0000-0002-1472-6852], Calero, Sofía [0000-0001-9535-057X], Catlow, C Richard A [0000-0002-1341-1541], Ruiz-Salvador, A Rabdel [0000-0002-2004-687X]

المصدر: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 478(2266):20220201. Royal Society of London

مصطلحات موضوعية: Research articles, General Mathematics, supertetrahedra, diffusion, General Engineering, General Physics and Astronomy, nanoporous metal, materials modelling, 4016 Materials Engineering, material design, 40 Engineering, MOF

وصف الملف: text/xml; application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::185bdbb6f99d6c88be9c2f68324481a5
https://www.repository.cam.ac.uk/handle/1810/341670