Chemistry
Listando 27 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article
Dynamic Studies on Kinetic H-2/D-2 Quantum Sieving in a Narrow Pore Metal-Organic Framework Grown on a Sensor Chip
Paschke, Benjamin; Denysenko, Dmytro; Bredenkoetter, Bjoern; Sastre, German; Wixforth, Achim; Volkmer, Dirk
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2019)
DOI /
10.1002/chem.201900889
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4
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0
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4
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Article
Achieving Large Volumetric Gas Storage Capacity in Metal-Organic Frameworks by Kinetic Trapping: A Case Study of Xenon Loading in MFU-4
Bunzen, Hana; Kolbe, Felicitas; Kalytta-Mewes, Andreas; Sastre, German; Brunner, Eike; Volkmer, Dirk
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2018)
DOI /
10.1021/jacs.8b04582
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0
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2
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Engineered contrast agents in a single structure for T-1-T-2 dual magnetic resonance imaging
Cabrera-Garcia, Alejandro; Checa-Chavarria, Elisa; Pacheco-Torres, Jesus; Bernabeu-Sanz, Angela; Vidal-Moya, Alejandro; Rivero-Buceta, Eva; Sastre, German; Fernandez, Eduardo; Botella, Pablo
NANOSCALE
2040-3364 (2018)
DOI /
10.1039/c7nr07948f
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5
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0
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0
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Structure searching methods: general discussion
Addicoat, Matthew; Adjiman, Claire S.; Arhangelskis, Mihails; Beran, Gregory J. O.; Brandenburg, Jan Gerit; Braun, Doris E.; Burger, Virginia; Burow, Asbjoern; Collins, Christopher; Cooper, Andrew; Day, Graeme M.; Deringer, Volker L.; Dyer, Matthew S.; Har
FARADAY DISCUSSIONS
1359-6640 (2018)
DOI /
10.1039/c8fd90030b
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16
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Review
Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids
Bukowski, Brandon C.; Keil, Frerich J.; Ravikovitch, Peter I.; Sastre, German; Snurr, Randall Q.; Coppens, Marc-Olivier
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
0929-5607 (2021)
DOI /
10.1007/s10450-021-00314-y
Green published, Hybrid
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2
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Control of zeolite microenvironment for propene synthesis from methanol
Lin, Longfei; Fan, Mengtian; Sheveleva, Alena M.; Han, Xue; Tang, Zhimou; Carter, Joseph H.; da Silva, Ivan; Parlett, Christopher M. A.; Tuna, Floriana; McInnes, Eric J. L.; Sastre, German; Rudic, Svemir; Cavaye, Hamish; Parker, Stewart F.; Cheng, Yongqian
NATURE COMMUNICATIONS
(2021)
DOI /
10.1038/s41467-021-21062-1
Green published, Gold
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0
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1
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Article
Thermal resistance effect on anomalous diffusion of molecules under confinement
Yuan, Jiamin; Liu, Zhiqiang; Wu, Yimo; Han, Jingfeng; Tang, Xiaomin; Li, Chengbin; Chen, Wei; Yi, Xianfeng; Zhou, Jian; Krishna, Rajamani; Sastre, German; Zheng, Anmin
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
0027-8424 (2021)
DOI /
10.1073/pnas.2102097118
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8
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Look beneath the surface
Sastre, German
NATURE MATERIALS
1476-1122 (2020)
DOI /
10.1038/s41563-020-0771-z
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2
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Article
Insights into Adsorption of Linear, Monobranched, and Dibranched Alkanes on Pure Silica STW Zeolite as a Promising Material for Their Separation
Perez-Botella, Eduardo; Misturini, Alechania; Sala, Andres; Palomino, Miguel; Corma, Avelino; Sastre, German; Valencia, Susana; Rey, Fernando
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2020)
DOI /
10.1021/acs.jpcc.0c08517
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4
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Article
Computational screening of structure directing agents for the synthesis of zeolites. A simplified model
Galvez-Llompart, Maria; Cantin, Angel; Rey, Fernando; Sastre, German
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS
2194-4946 (2019)
DOI /
10.1515/zkri-2018-2132
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4
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0
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Article
Surface barriers and symmetry of adsorption and desorption processes
Sastre, German; Kaerger, Joerg; Ruthven, Douglas M.
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
0929-5607 (2020)
DOI /
10.1007/s10450-020-00260-1
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5
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Article
Separation of an aqueous mixture of 6-kestose/sucrose with zeolites: A molecular dynamics simulation
Bolano Losada, Iria; Grobas-Illobre, Pablo; Misturini, Alechania; Polaina, Julio; Seminovski, Yohanna; Sastre, German
MICROPOROUS AND MESOPOROUS MATERIALS
1387-1811 (2021)
DOI /
10.1016/j.micromeso.2021.111031
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3
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Article
Calculation of pore diameters in zeolites
Bermudez, Diego; Sastre, German
THEORETICAL CHEMISTRY ACCOUNTS
1432-881X (2017)
DOI /
10.1007/s00214-017-2143-6
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4
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Article
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Gimenez-Marques, Monica; Galve, Nestor Calvo; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, German; Vitorica-Yrezabal, Inigo J.; Jimenez-Ruiz, Monica; Rodriguez-Velamazan, J. Alberto; Gonzalez, Miguel A.; Jorda, Jose L.; Coronado, Eugenio; Min
CHEMICAL SCIENCE
2041-6520 (2017)
DOI /
10.1039/c6sc05122g
Green published, Gold, Green submitted
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3
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0
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Article
Generation of the Thymine Triplet State by Through-Bond Energy Transfer
Miro, Paula; Gomez-Mendoza, Miguel; Sastre, German; Consuelo Cuquerella, M.; Miranda, Miguel A.; Luisa Marin, M.
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2019)
DOI /
10.1002/chem.201900830
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2
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0
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Article
Inelastic Neutron Scattering Study of the Aluminum and Bronsted Site Location in Aluminosilicate LTA Zeolites
Lemishko, Tetiana; Jimenez-Ruiz, Monica; Rey, Fernando; Valencia, Susana; Blasco, Teresa; Moya, Alejandro Vidal; Sastre, German
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2018)
DOI /
10.1021/acs.jpcc.8b02882
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2
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0
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Article
Zeolite structure determination using genetic algorithms and geometry optimisation
Liu, Xuehua; Valero, Soledad; Argente, Estefania; Sastre, German
FARADAY DISCUSSIONS
1359-6640 (2018)
DOI /
10.1039/c8fd00035b
Green published
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3
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0
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Article
Identification of New Templates for the Synthesis of BEA, BEC, and ISV Zeolites Using Molecular Topology and Monte Carlo Techniques
Galvez-Llompart, Maria; Galvez, Jorge; Rey, Fernando; Sastre, German
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2020)
DOI /
10.1021/acs.jcim.0c00231
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1
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Article
Diffusivity of Propylene in One-Dimensional Medium-Pore Zeolites
Alaithan, Zainab A.; Harrison, Nicholas; Sastre, German
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2021)
DOI /
10.1021/acs.jpcc.1c04090
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3
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Article
Diffusion Path Reversibility Confirms Symmetry of Surface Barriers
Sastre, German; Kaerger, Joerg; Ruthven, Douglas M.
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2019)
DOI /
10.1021/acs.jpcc.9b04528
Green accepted
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3
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Article
Synthesis of High-Silica Erionite Driven by Computational Screening of Hypothetical Zeolites
Boruntea, Cristian-R; Sastre, German; Lundegaard, Lars F.; Corma, Avelino; Vennestrom, Peter N. R.
CHEMISTRY OF MATERIALS
0897-4756 (2019)
DOI /
10.1021/acs.chemmater.9b01229
Green published
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1
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Article
Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors
Cnudde, Pieter; Demuynck, Ruben; Vandenbrande, Steven; Waroquier, Michel; Sastre, German; Van Speybroeck, Veronique
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2020)
DOI /
10.1021/jacs.9b10249
Hybrid, Green published, Green submitted
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2
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Synergistically enhance confined diffusion by continuum intersecting channels in zeolites
Liu, Zhiqiang; Yuan, Jiamin; van Baten, Jasper M.; Zhou, Jian; Tang, Xiaomin; Zhao, Chao; Chen, Wei; Yi, Xianfeng; Krishna, Rajamani; Sastre, German; Zheng, Anmin
SCIENCE ADVANCES
2375-2548 (2021)
DOI /
10.1126/sciadv.abf0775
Gold DOAJ
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1
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Applications of crystal structure prediction - inorganic and network structures: general discussion
Burger, Virginia; Claeyssens, Frederik; Davies, Daniel W.; Day, Graeme M.; Dyer, Matthew S.; Hare, Alan; Li, YI; Mellot-Draznieks, Caroline; Mitchell, John B. O.; Mohamed, Sharmarke; Oganov, Artem R.; Price, Sarah L.; Ruggiero, Michael; Ryder, Matthew R.;
FARADAY DISCUSSIONS
1359-6640 (2018)
DOI /
10.1039/c8fd90034e
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1
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Article
Computational elucidation of the aging time effect on zeolite synthesis selectivity in the presence of water and diquaternary ammonium iodide
Ghanbari, Bahram; Zangeneh, Fatemeh Kazemi; Sastre, German; Moeinian, Maryam; Marhabaie, Sina; Rizi, Zahra Taheri
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2021)
DOI /
10.1039/d1cp01921j
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2
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Article
Molecular Dynamics Study of Diffusion and Surface Permeation of Benzene in Silicalite
Sastre, German; Kaerger, Joerg; Ruthven, Douglas M.
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2018)
DOI /
10.1021/acs.jpcc.8b00520
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3
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Article
Computational Screening of Structure-Directing Agents for the Synthesis of Pure Silica ITE Zeolite
Leon, Santiago; Sastre, German
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2020)
DOI /
10.1021/acs.jpclett.0c01734
