Germán Sastre

发表

Drug screening of α‐amylase inhibitors as candidates for treating diabetes

María Gálvez-Llompart, G. Sastre, Alechania Misturini, 2023, Journal of cellular and molecular medicine.

Topology and Excited State Multiplicity as Controlling Factors in the Carbazole-Photosensitized CPD Formation and Repair

G. Sastre, Pilar García‐Orduña, M. Marin, 2022, The Journal of organic chemistry.

Thermal resistance effect on anomalous diffusion of molecules under confinement

R. Krishna, Anmin Zheng, Xianfeng Yi, 2021, Proceedings of the National Academy of Sciences.

Molecular Simulation of Biobutanol Recovery Using LTA and CHA Zeolite Nanosheets with an External Surface

F. Rey, G. Sastre, Alechania Misturini, 2022, The Journal of Physical Chemistry C.

Atomistic simulations of water and organic templates occluded during the synthesis of zeolites

G. Sastre, Y. Bushuev, Germán Sastre, 2010 .

On the Mechanism of Alkane Isomerisation (Isodewaxing) with Unidirectional 10-Member Ring Zeolites. A Molecular Dynamics and Catalytic Study

A. Corma, G. Sastre, A. Chica, 2000 .

Diffusion of Benzene and Propylene in MCM-22 Zeolite. A Molecular Dynamics Study

A. Corma, C. Catlow, G. Sastre, 1999 .

Derivation of an interatomic potential for germanium-and silicon-containing zeolites and its application to the study of the structures of octadecasil, ASU-7, and ASU-9 materials

Julian D. Gale, German Sastre, J. Gale, 2003 .

Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

M. Coppens, R. Snurr, F. Keil, 2021, Adsorption.

Synergistically enhance confined diffusion by continuum intersecting channels in zeolites

R. Krishna, Anmin Zheng, Xianfeng Yi, 2021, Science Advances.

Synthesis of a novel zeolite through a pressure-induced reconstructive phase transition process.

A. Corma, M. Palomino, J. Jordá, 2013, Angewandte Chemie.

Molecular Dynamics of Hydrocarbons in Zeolites: Historical Perspective and Current Developments

G. Sastre, Germán Sastre, 2018 .

Drug-Drug Interactions within Protein Cavities Probed by Triplet-Triplet Energy Transfer.

E. Nuin, G. Sastre, M. Jiménez, 2013, The journal of physical chemistry letters.

Control of zeolite microenvironment for propene synthesis from methanol

L. Daemen, A. Sheveleva, F. Tuna, 2021, Nature communications.

Control of zeolite microenvironment for propene synthesis from methanol

L. Daemen, A. Sheveleva, F. Tuna, 2021, Nature Communications.

Light Olefin Diffusion during the MTO Process on H-SAPO-34: a Complex Interplay of Molecular Factors.

P. Cnudde, M. Waroquier, G. Sastre, 2020, Journal of the American Chemical Society.

Relation between structure and Lewis acidity of Ti-Beta and TS-1 zeolites: A quantum-chemical study

A. Corma, G. Sastre, Germán Sastre, 1999 .

Water–Hydrophobic Zeolite Systems

J. V. Julián-Ortiz, G. Sastre, Y. Bushuev, 2012 .

Computer Simulation of Catalytic Systems

C. Catlow, R. Bell, G. Sastre, 1997 .

Modelling of structure, sorption, synthesis and reactivity in catalytic systems 1 Communication pres

C. Catlow, R. Bell, G. Sastre, 1997 .

Introductory Lecture Computer modelling as a technique in solid state chemistry

C. Catlow, F. Corà, R. Bell, 1997 .

The benefit of multipore zeolites: Catalytic behaviour of zeolites with intersecting channels of different sizes for alkylation reactions

A. Corma, C. Martínez, S. Valencia, 2009 .

Gas confinement in compartmentalized coordination polymers for highly selective sorption

E. Coronado, M. Giménez‐Marqués, G. M. Espallargas, 2017, Chemical science.

CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.

S. Kaskel, L. van Wüllen, I. Senkovska, 2013, Dalton transactions.

Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn4Cl4(Me2bta)6] (M(II) = Zn or Ru) featuring long-lived excited electronic states.

M. Grzywa, D. Volkmer, Yingya Liu, 2011, Dalton transactions.

Achieving Large Volumetric Gas Storage Capacity in Metal-Organic Frameworks by Kinetic Trapping: A Case Study of Xenon Loading in MFU-4.

D. Volkmer, E. Brunner, H. Bunzen, 2018, Journal of the American Chemical Society.

Multifunctional hybrid organic-inorganic catalytic materials with a hierarchical system of well-defined micro- and mesopores.

A. Corma, A. Velty, G. Sastre, 2010, Journal of the American Chemical Society.

Dehydroaromatization of methane under non-oxidative conditions over bifunctional Mo/ITQ-2 catalysts

Agustín Martínez, G. Sastre, Ernest Peris, 2005 .

Molecular Dynamics of C7 Hydrocarbon Diffusion in ITQ-2. The Benefit of Zeolite Structures Containing Accessible Pockets

A. Corma, C. Catlow, A. Chica, 2000 .

Dependence of cracking activity on the Brønsted acidity of Y zeolite: DFT study and experimental confirmation

G. Sastre, M. Niwa, N. Katada, 2013 .

Structure and Stability of Silica Species in SAPO Molecular Sieves

C. Catlow, G. Sastre, D. Lewis, 1996 .

Effect of the Germanium Incorporation in the Synthesis of EU-1, ITQ-13, ITQ-22, and ITQ-24 Zeolites

A. Corma, A. Pulido, G. Sastre, 2004 .

Computational and Experimental Approach to the Role of Structure-Directing Agents in the Synthesis of Zeolites: The Case of Cyclohexyl Alkyl Pyrrolidinium Salts in the Synthesis of β, EU-1, ZSM-11, and ZSM-12 Zeolites

A. Corma, F. Rey, S. Valencia, 2003 .

A multisite molecular mechanism for Baeyer-Villiger oxidations on solid catalysts using environmentally friendly H2O2 as oxidant.

A. Corma, M. Boronat, G. Sastre, 2005, Chemistry.

Gem-diamines as highly active organocatalysts for carbon–carbon bond formation

A. Corma, S. Iborra, I. Domínguez, 2007 .

Catalytic Activity of Proton Sponge: Application to Knoevenagel Condensation Reactions

A. Corma, S. Iborra, G. Sastre, 1999 .

Computational Study of Brønsted Acidity of Mordenite. Effect of the Electric Field on the Infrared OH Stretching Frequencies

G. Sastre, M. Niwa, N. Katada, 2010 .

Enhancement of intramolecular charge transfer in carbon nitride by attaching 2,4,5-Trichlorophenoxyacetic acid as electron acceptor units

H. García, Zhanhang He, Yike Li, 2023, Chemical Engineering Journal.

A zeolitic structure (ITQ-34) with connected 9- and 10-ring channels obtained with phosphonium cations as structure directing agents.

A. Corma, J. Jordá, F. Rey, 2008, Journal of the American Chemical Society.

Computational Screening of Structure Directing Agents for the Synthesis of Pure Silica ITE Zeolite.

G. Sastre, Santiago León, S. León, 2020, The journal of physical chemistry letters.

Modular Organic Structure-Directing Agents for the Synthesis of Zeolites

A. Corma, A. Corma, J. Jordá, 2010, Science.

Screening of hypothetical metal-organic frameworks for H2 storage.

G. Sastre, Jordi Toda, D. Gomez, 2014, Physical chemistry chemical physics : PCCP.

Confinement effects in the hydrogen adsorption on paddle wheel containing metal-organic frameworks.

G. Sastre, Aldo F. Combariza, D. Gomez, 2012, Physical chemistry chemical physics : PCCP.

Confinement effects in methanol to olefins catalysed by zeolites: A computational review

G. Sastre, Germán Sastre, 2016, Frontiers of Chemical Science and Engineering.

The confinement effect in zeolites

A. Corma, G. Sastre, Germán Sastre, 2009 .

Drug–tubulin interactions interrogated by transient absorption spectroscopy

G. Sastre, M. Miranda, D. Jornet, 2015 .

Synthesis of High-Silica Erionite Driven by Computational Screening of Hypothetical Zeolites

Peter N. R. Vennestrøm, A. Corma, G. Sastre, 2019, Chemistry of Materials.

Supra-molecular assembly of aromatic proton sponges to direct the crystallization of extra-large-pore zeotypes

A. Corma, X. Zou, Junliang Sun, 2014, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Engineered contrast agents in a single structure for T1-T2 dual magnetic resonance imaging.

G. Sastre, J. Pacheco-Torres, Á. Bernabéu-Sanz, 2018, Nanoscale.

Simulating the properties of small pore silica zeolites using interatomic potentials.

German Sastre, G. Sastre, Aldo F. Combariza, 2013, Chemical Society reviews.

Stereoselective, Ruthenium-Photocatalyzed Synthesis of 1,2-Diaminotruxinic Bis-amino Acids from 4-Arylidene-5(4H)-oxazolones

A. Jiménez, G. Sastre, F. Boscá, 2022, The Journal of organic chemistry.

Isomerization and disproportionation of m-xylene in a zeolite with 9- and 10-membered ring pores: Molecular dynamics and catalytic studies

A. Corma, G. Sastre, F. Llopis, 2006 .

Inelastic Neutron Scattering Study on the Location of Brønsted Acid Sites in High Silica LTA Zeolite

F. Rey, S. Valencia, G. Sastre, 2016 .

Influence of force fields on the selective diffusion of para-xylene over ortho-xylene in 10-ring zeolites

A. Corma, Mohamed Elanany, G. Sastre, 2015 .

An study of cyclohexylpyrrolidine-derived quaternary organic cations as structure directing agents for synthesis of zeolites

A. Corma, F. Rey, S. Valencia, 2004 .

Computational elucidation of the aging time effect on zeolite synthesis selectivity in the presence of water and diquaternary ammonium iodide.

B. Ghanbari, G. Sastre, Sina Marhabaie, 2021, Physical chemistry chemical physics : PCCP.

Computational study of 19F NMR spectra of double four ring-containing Si/Ge-zeolites.

A. Corma, A. Pulido, G. Sastre, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Synthesis, characterization, and framework heteroatom localization in ITQ-21.

Jordi Rius, Avelino Corma, German Sastre, 2004, Journal of the American Chemical Society.

Preferential location of Ge atoms in polymorph C of beta zeolite (ITQ-17) and their structure-directing effect: a computational, XRD, and NMR spectroscopic study.

A. Corma, J. Jordá, F. Rey, 2002, Angewandte Chemie.

The importance of T⋯T⋯T angles in the feasibility of zeolites

Estefania Argente, Soledad Valero, German Sastre, 2015 .

Calculation of pore diameters in zeolites

G. Sastre, D. Bermudez, Germán Sastre, 2017, Theoretical Chemistry Accounts.

Diffusion of Linear and Branched C7 Paraffins in ITQ-1 Zeolite. A Molecular Dynamics Study

A. Corma, G. Sastre, A. Catlow, 1998 .

ITQ-39 zeolite, an efficient catalyst for the conversion of low value naphtha fractions into diesel fuel: The role of pore size on molecular diffusion and reactivity

A. Corma, C. Martínez, F. Rey, 2016 .

A new synthesis method for the preparation of ITQ-7 zeolites and the characterisation of the resulting materials

A. Corma, V. Fornés, F. Rey, 2005 .

An attempt to predict and rationalize relative stabilities and preferential germanium location in Si/Ge zeolites

A. Corma, A. Pulido, G. Sastre, 2005 .

Searching Organic Structure Directing Agents for the Synthesis of Specific Zeolitic Structures: An Experimentally Tested Computational Study

A. Corma, G. Sastre, Á. Cantín, 2005 .

A Computational Study on the Templating Ability of the Trispyrrolidinium Cation in the Synthesis of ZSM-18 Zeolite

G. Sastre, M. Sabater, Germán Sastre, 2001 .

Diffusion of Trimethylbenzenes and Xylenes in Zeolites with 12- and 10-Ring Channels as Catalyst for Toluene-Trimethylbenzene Transalkylation

A. Corma, G. Sastre, Jordi Toda, 2016 .

Xylene isomerization and aromatic alkylation in zeolites NU-87, SSZ-33, β, and ZSM-5: molecular dynamics and catalytic studies

A. Corma, G. Sastre, F. Llopis, 2004 .

Selective diffusion of C8 aromatics in a 10 and 12 MR zeolite. A molecular dynamics study

R. Roque-Malherbe, A. Corma, C. Catlow, 1998 .

On the shape selective acylation of 2-methoxynaphthalene over polymorph C of Beta (ITQ-17)

A. Corma, F. Rey, G. Sastre, 2003 .