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  1. Computational screening of structure directing agents for the synthesis of zeolites. A simplified model

    Article • Zeitschrift für Kristallographie - Crystalline Materials, December 2018, De Gruyter

    Dr German Sastre

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

    Article • Journal of the American Chemical Society, July 2018, American Chemical Society (ACS)

    Dr German Sastre

  3. Inelastic Neutron Scattering Study of the Aluminum and Brønsted Site Location in Aluminosilicate LTA Zeolites

    Article • The Journal of Physical Chemistry C, May 2018, American Chemical Society (ACS)

    Dr German Sastre

  4. Diffusion of Trimethylbenzenes, Toluene, and Xylenes in UWY Zeolite as a Catalyst for Transalkylation of Trimethylbenzenes with Toluene

    Article • The Journal of Physical Chemistry C, March 2018, American Chemical Society (ACS)

    Dr German Sastre

  5. Molecular Dynamics Study of Diffusion and Surface Permeation of Benzene in Silicalite

    Article • The Journal of Physical Chemistry C, March 2018, American Chemical Society (ACS)

    Dr German Sastre

  6. Engineered contrast agents in a single structure forT1–T2dual magnetic resonance imaging

    Article • Nanoscale, January 2018, Royal Society of Chemistry

    Dr German Sastre

  7. Zeolite structure determination using genetic algorithms and geometry optimisation

    Article • Faraday Discussions, January 2018, Royal Society of Chemistry

    Dr German Sastre

  8. Calculation of pore diameters in zeolites

    Article • Theoretical Chemistry Accounts, October 2017, Springer Science + Business Media

    Dr German Sastre

  9. Gas confinement in compartmentalized coordination polymers for highly selective sorption

    Article • Chemical Science, January 2017, Royal Society of Chemistry

    Dr German Sastre

  10. Selecting strong Brønsted acid zeolites through screening from a database of hypothetical frameworks

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr German Sastre

  11. Vibrational fingerprint of the absorption properties of UiO-type MOF materials

    Article • Theoretical Chemistry Accounts, March 2016, Springer Science + Business Media

    Dr German Sastre

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

    Article • Frontiers of Chemical Science and Engineering, February 2016, Springer Science + Business Media

    Dr German Sastre

  13. Triplet energy management between two signaling units through cooperative rigid scaffolds

    Article • Chemical Communications, January 2016, Royal Society of Chemistry

    Dr German Sastre

  14. An INS study of entrapped organic cations within the micropores of zeolite RTH

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr German Sastre

  15. 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

    Article • Journal of Catalysis, January 2016, Elsevier

    Dr German Sastre

  16. Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites

    Article • The Journal of Physical Chemistry C, September 2015, American Chemical Society (ACS)

    Dr German Sastre

  17. Factors affecting intramolecular electron transfer

    Article • Chemistry - A European Journal, July 2015, Wiley

    Dr German Sastre

  18. Influence of force fields on the selective diffusion ofpara-xylene overortho-xylene in 10-ring zeolites

    Article • Molecular Simulation, July 2015, Taylor & Francis

    Dr German Sastre

  19. Steric shielding vs. σ–π orbital interactions in triplet–triplet energy transfer

    Article • Chemical Science, January 2015, Royal Society of Chemistry

    Dr German Sastre

  20. Drug–tubulin interactions interrogated by transient absorption spectroscopy

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr German Sastre

  21. Study of the relation between a 'beautiful zeolite' and a 'feasible zeolite'

    Article • Zeitschrift für Kristallographie - Crystalline Materials, January 2015, De Gruyter

    Dr German Sastre

  22. Computational study of diffusion of propane in small pore acidic zeotypes AFX and AEI

    Article • Catalysis Today, May 2014, Elsevier

    Dr German Sastre

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

    Article • Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences, April 2014, Royal Society Publishing

    Dr German Sastre

  24. Dielectric Relaxation Processes, Electronic Structure, and Band Gap Engineering of MFU‐4‐type Metal‐Organic Frameworks: Towards a Rational Design of Semiconducting Microporous Materials

    Article • Advanced Functional Materials, March 2014, Wiley

    Dr German Sastre, Prof. Dr. Alois Loidl

  25. Unveiling the mechanism of selective gate-driven diffusion of CO2 over N2 in MFU-4 metal–organic framework

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr German Sastre

  26. Screening of hypothetical metal–organic frameworks for H2 storage

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr German Sastre

  27. Synthesis of a Novel Zeolite through a Pressure‐Induced Reconstructive Phase Transition Process

    Article • Angewandte Chemie, August 2013, Wiley

    Dr German Sastre

  28. Synthesis of a Novel Zeolite through a Pressure‐Induced Reconstructive Phase Transition Process

    Article • Angewandte Chemie, August 2013, Wiley

    Dr German Sastre

  29. Drug–Drug Interactions within Protein Cavities Probed by Triplet–Triplet Energy Transfer

    Article • The Journal of Physical Chemistry Letters, April 2013, American Chemical Society (ACS)

    Dr German Sastre

  30. ChemInform Abstract: Simulating the Properties of Small Pore Silica Zeolites Using Interatomic Potentials

    Article • ChemInform, April 2013, Wiley

    Dr German Sastre

  31. Simulating the properties of small pore silicazeolites using interatomic potentials

    Article • Chemical Society Reviews, January 2013, Royal Society of Chemistry

    Dr German Sastre

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

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Dr German Sastre

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

    Article • Catalysis Science & Technology, January 2013, Royal Society of Chemistry

    Dr German Sastre

  34. Water–Hydrophobic Zeolite Systems

    Article • The Journal of Physical Chemistry C, November 2012, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr German Sastre

  36. Article • Microporous and Mesoporous Materials, December 2011, Elsevier

    Dr German Sastre

  37. Atomistic Simulation of Water Intrusion–Extrusion in ITQ-4 (IFR) and ZSM-22 (TON): The Role of Silanol Defects

    Article • The Journal of Physical Chemistry C, October 2011, American Chemical Society (ACS)

    Dr German Sastre

  38. Dansyl Labeling To Modulate the Relative Affinity of Bile Acids for the Binding Sites of Human Serum Albumin

    Article • The Journal of Physical Chemistry B, August 2011, American Chemical Society (ACS)

    Dr German Sastre

  39. Influence of Zeolite Surface in the Sorption of Methane from Molecular Dynamics

    Article • The Journal of Physical Chemistry C, June 2011, American Chemical Society (ACS)

    Dr German Sastre

  40. From microscopic insights of H2 adsorption to uptake estimations in MOFs

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr German Sastre

  41. Ammonia IRMS-TPD measurements on Brønsted acidity of proton-formed SAPO-34

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr German Sastre

  42. Photophysical properties of Kuratowski-type coordination compounds [MIIZn4Cl4(Me2bta)6] (MII = Zn or Ru) featuring long-lived excited electronic states

    Article • Dalton Transactions, January 2011, Royal Society of Chemistry

    Dr German Sastre

  43. Modular Organic Structure-Directing Agents for the Synthesis of Zeolites

    Article • Science, November 2010, American Association for the Advancement of Science

    Dr German Sastre

  44. Feasibility of Pure Silica Zeolites

    Article • The Journal of Physical Chemistry C, October 2010, American Chemical Society (ACS)

    Dr German Sastre

  45. Multifunctional Hybrid Organic−Inorganic Catalytic Materials with a Hierarchical System of Well-Defined Micro- and Mesopores

    Article • Journal of the American Chemical Society, September 2010, American Chemical Society (ACS)

    Dr German Sastre

  46. Molecular Dynamics Simulations of the Diffusion of Small Chain Hydrocarbons in 8-Ring Zeolites

    Article • The Journal of Physical Chemistry C, September 2010, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • The Journal of Physical Chemistry C, August 2010, American Chemical Society (ACS)

    Dr German Sastre

  48. Hydrogen physisorption in metal–organic frameworks: concepts and quantum chemical calculations

    Article • Theoretical Chemistry Accounts, May 2010, Springer Science + Business Media

    Dr German Sastre

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

    Article • Microporous and Mesoporous Materials, April 2010, Elsevier

    Dr German Sastre

  50. Predicting Structural Feasibility of Silica and Germania Zeolites

    Article • The Journal of Physical Chemistry C, January 2010, American Chemical Society (ACS)

    Dr German Sastre

  51. The Structural Directing Role of Water and Hydroxyl Groups in the Synthesis of Beta Zeolite Polymorphs

    Article • The Journal of Physical Chemistry C, December 2009, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • Journal of Catalysis, November 2009, Elsevier

    Dr German Sastre

  53. Correlation between Brønsted Acid Strength and Local Structure in Zeolites

    Article • The Journal of Physical Chemistry C, October 2009, American Chemical Society (ACS)

    Dr German Sastre

  54. Propane/Propylene Diffusion in Zeolites: Framework Dynamics

    Article • The Journal of Physical Chemistry C, June 2009, American Chemical Society (ACS)

    Dr German Sastre

  55. The confinement effect in zeolites

    Article • Journal of Molecular Catalysis A Chemical, June 2009, Elsevier

    Dr German Sastre

  56. Atomistic Simulations of Structural Defects and Water Occluded in SSZ-74 Zeolite

    Article • The Journal of Physical Chemistry C, May 2009, American Chemical Society (ACS)

    Dr German Sastre

  57. Topological Descriptor for Oxygens in Zeolites. Analysis of Ring Counting in Tetracoordinated Nets.

    Article • The Journal of Physical Chemistry C, May 2009, American Chemical Society (ACS)

    Dr German Sastre

  58. Topological Descriptor for Oxygens in Zeolites. Analysis of Ring Counting in Tetracoordinated Nets

    Article • The Journal of Physical Chemistry C, March 2009, American Chemical Society (ACS)

    Dr German Sastre

  59. Periodic Density Functional Calculation on the Brønsted Acidity of Modified Y-Type Zeolite

    Article • The Journal of Physical Chemistry C, March 2009, American Chemical Society (ACS)

    Dr German Sastre

  60. Quantum-chemistry calculations of hydrogen adsorption in MOF-5

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Dr German Sastre

  61. Back matter

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Dr German Sastre

  62. Periodic DFT Calculation of the Energy of Ammonia Adsorption on Zeolite Brønsted Acid Sites to Support the Ammonia IRMS–TPD Experiment

    Article • Chemistry Letters, January 2009, Chemical Society of Japan

    Dr German Sastre

  63. A Zeolitic Structure (ITQ-34) with Connected 9- and 10-Ring Channels Obtained with Phosphonium Cations as Structure Directing Agents

    Article • Journal of the American Chemical Society, November 2008, American Chemical Society (ACS)

    Dr German Sastre

  64. Computational Study of Brønsted Acidity of Faujasite. Effect of the Al Content on the Infrared OH Stretching Frequencies

    Article • The Journal of Physical Chemistry C, November 2008, American Chemical Society (ACS)

    Dr German Sastre

  65. Synthesis of the Ti−Silicate Form of BEC Polymorph of β-Zeolite Assisted by Molecular Modeling

    Article • The Journal of Physical Chemistry C, November 2008, American Chemical Society (ACS)

    Dr German Sastre

  66. Quantitative Measurements of Brønsted Acidity of Zeolites by Ammonia IRMS–TPD Method and Density Functional Calculation

    Article • Chemistry Letters, August 2007, The Chemical Society of Japan

    Dr German Sastre

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

    Article • Journal of Catalysis, February 2007, Elsevier

    Dr German Sastre

  68. Ammonia IRMS-TPD measurements and DFT calculation on acidic hydroxyl groups in CHA-type zeolites

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Dr German Sastre

  69. A computational chemistry insight in the role of structure directing agents in the synthesis of zeolites

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Dr German Sastre

  70. Editorial

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Dr German Sastre

  71. Computational Study of Location and Role of Fluoride in Zeolite Structures

    Article • The Journal of Physical Chemistry B, October 2006, American Chemical Society (ACS)

    Dr German Sastre

  72. Further investigations into “Zeolite synthesis using flexible diquaternary alkylammonium ions (CnH2n+1)2HN+(CH2)5N+H(CnH2n+1)2 with n=1–5 as structure-directing agents”

    Article • Microporous and Mesoporous Materials, October 2006, Elsevier

    Dr German Sastre

  73. Rings and Strain in Pure Silica Zeolites

    Article • The Journal of Physical Chemistry B, August 2006, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • Journal of Catalysis, August 2006, Elsevier

    Dr German Sastre

  75. Computational Study of 19F NMR Spectra of Double Four Ring‐Containing Si/Ge‐Zeolites

    Article • ChemPhysChem, May 2006, Wiley

    Dr German Sastre

  76. Influence of Pore Dimension and Sorption Configuration on the Heat of Sorption of Hexane on Monodimensional Siliceous Zeolites

    Article • The Journal of Physical Chemistry B, November 2005, American Chemical Society (ACS)

    Dr German Sastre

  77. A Multisite Molecular Mechanism for Baeyer–Villiger Oxidations on Solid Catalysts Using Environmentally Friendly H2O2 as Oxidant

    Article • Chemistry - A European Journal, November 2005, Wiley

    Dr German Sastre, Dr Michael Renz

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

    Article • Catalysis Today, October 2005, Elsevier

    Dr German Sastre

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

    Article • Microporous and Mesoporous Materials, July 2005, Elsevier

    Dr German Sastre

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

    Article • Comptes Rendus Chimie, March 2005, Cellule MathDoc/CEDRAM

    Dr German Sastre

  81. Derivation of an Interatomic Potential for Fluoride-Containing Microporous Silicates and Germanates

    Article • Chemistry of Materials, January 2005, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • Chemistry of Materials, January 2005, American Chemical Society (ACS)

    Dr German Sastre

  83. Pentacoordinated germanium in AST zeolite synthesised in fluoride media. A 19F NMR validated computational study

    Article • Chemical Communications, January 2005, Royal Society of Chemistry

    Dr German Sastre

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

    Article • Journal of Catalysis, October 2004, Elsevier

    Dr German Sastre

  85. Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21

    Article • Journal of the American Chemical Society, September 2004, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • The Journal of Physical Chemistry B, May 2004, American Chemical Society (ACS)

    Dr German Sastre

  87. A new synthesis route of the tridirectional 12 ring channel zeolite ITQ-7

    Article • January 2004, Elsevier

    Dr German Sastre

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

    Article • January 2004, Elsevier

    Dr German Sastre

  89. Topological and geometrical characterization of zeotypes with a free software code called zeotsites: The case study of germanium location in octadecasil

    Article • January 2004, Elsevier

    Dr German Sastre

  90. A software tool for the topological and geometrical characterization of three-dimensional frameworks

    Article • Computational Materials Science, October 2003, Elsevier

    Dr German Sastre

  91. Ordinary Diffusion and Single File Diffusion in Zeolites with Monodimensional Channels. Benzene andn-Butane in ITQ-4 and L Zeolites

    Article • Topics in Catalysis, October 2003, Springer Science + Business Media

    Dr German Sastre

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

    Article • Journal of Catalysis, July 2003, Elsevier

    Dr German Sastre

  93. 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

    Article • The Journal of Physical Chemistry B, May 2003, American Chemical Society (ACS)

    Dr German Sastre

  94. 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

    Article • Chemistry of Materials, April 2003, American Chemical Society (ACS)

    Dr German Sastre

  95. 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

    Article • Angewandte Chemie, December 2002, Wiley

    Dr German Sastre

  96. 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

    Article • Angewandte Chemie, December 2002, Wiley

    Dr German Sastre

  97. Influence of the Intermolecular Interactions on the Mobility of Heptane in the Supercages of MCM-22 Zeolite. A Molecular Dynamics Study

    Article • The Journal of Physical Chemistry B, January 2002, American Chemical Society (ACS)

    Dr German Sastre

  98. Simultaneous hydrogenation and ring opening of aromatics for diesel upgrading on Pt/zeolite catalysts. The influence of zeolite pore topology and reactant on catalyst performance

    Article • January 2002, Elsevier

    Dr German Sastre

  99. On the Preferential Location of Al and Proton Siting in Zeolites:  A Computational and Infrared Study

    Article • The Journal of Physical Chemistry B, December 2001, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • Chemistry of Materials, November 2001, American Chemical Society (ACS)

    Dr German Sastre

  101. ZeoTsites: a code for topological and crystallographic tetrahedral sites analysis in zeolites and zeotypes

    Article • Microporous and Mesoporous Materials, March 2001, Elsevier

    Dr German Sastre

  102. Al-ITQ-7, a Shape-Selective Zeolite for Acylation of 2-Methoxynaphthalene

    Article • Journal of Catalysis, January 2001, Elsevier

    Dr German Sastre

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

    Article • Journal of Catalysis, October 2000, Elsevier

    Dr German Sastre

  104. Preferential Siting of Bridging Hydroxyls and Their Different Acid Strengths in the Two-Channel System of MCM-22 Zeolite

    Article • The Journal of Physical Chemistry B, April 2000, American Chemical Society (ACS)

    Dr German Sastre

  105. The role of the electrostatic potential, electric field and electric field gradient on the acidity of AFI and CHA zeotypes

    Article • Physical Chemistry Chemical Physics, January 2000, Royal Society of Chemistry

    Dr German Sastre

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

    Article • The Journal of Physical Chemistry B, December 1999, American Chemical Society (ACS)

    Dr German Sastre

  107. Diffusion of Octane in Silicalite:  A Molecular Dynamics Study

    Article • The Journal of Physical Chemistry B, November 1999, American Chemical Society (ACS)

    Dr German Sastre

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

    Article • The Journal of Physical Chemistry B, June 1999, American Chemical Society (ACS)

    Dr German Sastre

  109. Relation between structure and Lewis acidity of Ti-Beta and TS-1 zeolites

    Article • Chemical Physics Letters, March 1999, Elsevier

    Dr German Sastre

  110. Rationalisation of the IR stretching frequencies of Brønsted acid centres in microporous solids

    Article • Chemical Communications, January 1999, Royal Society of Chemistry

    Dr German Sastre

  111. Influence of short- and long-range factors in the Brønsted acidity of MCM-22 zeolite

    Article • Chemical Communications, January 1999, Royal Society of Chemistry

    Dr German Sastre

  112. Article • Topics in Catalysis, January 1999, Springer Science + Business Media

    Dr German Sastre

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

    Article • The Journal of Physical Chemistry B, August 1998, American Chemical Society (ACS)

    Dr German Sastre

  114. Selective Diffusion of C8 Aromatics in a 10 and 12 MR Zeolite. A Molecular Dynamics Study

    Article • The Journal of Physical Chemistry B, April 1998, American Chemical Society (ACS)

    Dr German Sastre

  115. Modelling of Brnsted acidity in AFI and CHA zeotypes

    Article • Journal of the Chemical Society Faraday Transactions, January 1998, Royal Society of Chemistry

    Dr German Sastre

  116. On the Incorporation of Buckminsterfullerene C60 in the Supercages of Zeolite Y

    Article • The Journal of Physical Chemistry B, December 1997, American Chemical Society (ACS)

    Dr German Sastre

  117. Modeling of Silicon Substitution in SAPO-5 and SAPO-34 Molecular Sieves

    Article • The Journal of Physical Chemistry B, July 1997, American Chemical Society (ACS)

    Dr German Sastre

  118. Activation of Molecules in Confined Spaces:  An Approach to Zeolite−Guest Supramolecular Systems

    Article • The Journal of Physical Chemistry B, June 1997, American Chemical Society (ACS)

    Dr German Sastre

  119. Mechanisms of silicon incorporation in aluminophosphate molecular sieves

    Article • Journal of Molecular Catalysis A Chemical, May 1997, Elsevier

    Dr German Sastre

  120. Modelling of structure, sorption, synthesis and reactivity in catalytic systems1Communication presented at the First Francqui Colloquium, Brussels, 19–20 February 1996.1

    Article • Journal of Molecular Catalysis A Chemical, February 1997, Elsevier

    Dr German Sastre

  121. Introductory Lecture Computer modelling as a technique in solid state chemistry

    Article • Faraday Discussions, January 1997, Royal Society of Chemistry

    Dr German Sastre, Dr Ben Slater

  122. Quantum chemistry calculations on the effect of electron confinement upon the frontier molecular orbitals of ethylene and benzene in sodalite. Implications on reactivity

    Article • Chemical Physics Letters, January 1997, Elsevier

    Dr German Sastre

  123. Structure and Stability of Silica Species in SAPO Molecular Sieves

    Article • The Journal of Physical Chemistry B, April 1996, American Chemical Society (ACS)

    Dr German Sastre

  124. Space group symmetry and Al—O—P bond angles in AlPO4-5

    Article • Journal of Materials Chemistry, January 1996, Royal Society of Chemistry

    Dr German Sastre, Dr A. Rabdel Ruiz-Salvador

  125. A quantum-chemical study of para/ortho-toluene alkylation by adsorbed methoxy species on zeolites

    Article • Journal of Molecular Catalysis A Chemical, November 1995, Elsevier

    Dr German Sastre

  126. Quantum-chemistry calculations of surface complex and orbital control in para/ortho toluene alkylation catalyzed by big pore zeolites

    Article • January 1994, Elsevier

    Dr German Sastre

  127. Molecular orbital calculation of the soft-hard acidity of zeolites and its catalytic implications

    Article • Journal of Catalysis, August 1992, Elsevier

    Dr German Sastre