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On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5 at 323K

Journal of catalysis, 2016-08, Vol.340, p.227-235

2016

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Towards metal-organic framework based field effect chemical sensors: UiO-66-NH 2 for nerve agent detection

Chemical science (Cambridge), 2016-09, Vol.7 (9), p.5827-5832

2016

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Correction: Au@UiO-66: a base free oxidation catalyst

RSC advances, 2015-03, Vol.5 (34), p.26726-26726

2015

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Tetravalent Doping of CeO^sub 2^: The Impact of Valence Electron Character on Group IV Dopant Influence

Journal of the American Ceramic Society, 2014-01, Vol.97 (1), p.258

2014

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Tetravalent Doping of CeO 2 : The Impact of Valence Electron Character on Group IV Dopant Influence

Journal of the American Ceramic Society, 2014-01, Vol.97 (1), p.258-266

2014

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Towards metal-organic framework based field effect chemical sensors: UiO-66-NH2 for nerve agent detectionElectronic supplementary information (ESI) available: Experimental section, control experiments, Kelvin probe response to humidity, water adsorption and desorption isotherms, thermogravimetric analysis, DFT calculations and Rietveld refinement data and information. See DOI: 10.1039/c6sc00987e

2016-08

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Accurate spin-orbit and spin-other-orbit contributions to the g-tensor for transition metal containing systemsElectronic supplementary information (ESI) available: See DOI: 10.1039/c2cp41086a

2012-07

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Towards metal–organic framework based field effect chemical sensors: UiO-66-NH2 for nerve agent detection† †Electronic supplementary information (ESI) available: Experimental section, control experiments, Kelvin probe response to humidity, water adsorption and desorption isotherms, thermogravimetric analysis, DFT calculations and Rietveld refinement data and information. See DOI: 10.1039/c6sc00987e

Chemical science (Cambridge), 2016-05, Vol.7 (9), p.5827-5832

2016

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Determining the storage, availability and reactivity of NH 3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

Physical chemistry chemical physics : PCCP, 2014, Vol.16 (4), p.1639-1650

2014

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Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systemsElectronic supplementary information (ESI) available: Details on the theoretical calculations; and XRD, 27Al MAS NMR, UV-Vis-NIR DRS, EXAFS, N2 adsorption and SEM data of Cu-SSZ-13 zeolites. See DOI: 10.1039/c3cp54132k

2013-12

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Determining the storage, availability and reactivity of NH sub(3) within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

Physical chemistry chemical physics : PCCP, 2013-12, Vol.16 (4), p.1639-1650

2013

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Water coordination and dehydration processes in defective UiO-66 type metal organic frameworksElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ce01027j

2016-09

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Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh 2+ Defects in NaCl as Case Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-03, Vol.115 (9), p.1721-1733

2011

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Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl 2 O 4 , ZnGa 2 O 4 and ZnIn 2 O 4

New journal of physics, 2011-06, Vol.13 (6), p.63002

2011

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Au-UiO-66: a base free oxidation catalyst

RSC advances, 2015-02, Vol.5 (29), p.22334-22342

2015

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Erratum: Density functional theory study of La 2 Ce 2 O 7 : Disordered fluorite versus pyrochlore structure [Phys. Rev. B 84 , 054110 (2011)]

Physical review. B, Condensed matter and materials physics, 2015-02, Vol.91 (5), Article 059902

2015

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Ab initio EPR study of S and Se defects in alkali halides

International journal of quantum chemistry, 2005-01, Vol.102 (4), p.409-414

2005

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Density functional theory study of La 2 Ce 2 O 7 : Disordered fluorite versus pyrochlore structure

Physical review. B, Condensed matter and materials physics, 2011-08, Vol.84 (5), Article 054110

2011

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Reactivity and kinetics of polyaromatic hydrocarbons in elementary radical reactions

Journal of computational methods in sciences and engineering, 2002-08, Vol.2 (3-4), p.315-318

2002

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ChemInform Abstract: ZEOBUILDER: A GUI Toolkit for the Construction of Complex Molecular Structures on the Nanoscale with Building Blocks

ChemInform, 2008-10, Vol.39 (43), p.no-no

2008

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Frontispiece: Overview of N‐Rich Antennae Investigated in Lanthanide‐Based Temperature Sensing

Chemistry : a European journal, 2021-05, Vol.27 (25), p.n/a

2021

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Structural and Photophysical Properties of Various Polypyridyl Ligands: A Combined Experimental and Computational Study

Chemphyschem, 2020-11, Vol.21 (22), p.2488-2488

2020

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138 Late prenatal repair of open spina bifida (OSB) and postnatal cerebrospinal fluid (CSF) diversion

American journal of obstetrics and gynecology, 2024-01, Vol.230 (1), p.S91-S91

2024

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Risk factors for postnatal cerebrospinal fluid diversion after percutaneous fetoscopic open spina bifida repair

American journal of obstetrics and gynecology, 2023-01, Vol.228 (1), p.S723-S723

2023

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Front Cover: Structural and Photophysical Properties of Various Polypyridyl Ligands: A Combined Experimental and Computational Study (ChemPhysChem 22/2020)

Chemphyschem, 2020-11, Vol.21 (22), p.2484-2484

2020

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On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5 at 323K

Towards metal-organic framework based field effect chemical sensors: UiO-66-NH 2 for nerve agent detection

Correction: Au@UiO-66: a base free oxidation catalyst

Tetravalent Doping of CeO^sub 2^: The Impact of Valence Electron Character on Group IV Dopant Influence

Tetravalent Doping of CeO 2 : The Impact of Valence Electron Character on Group IV Dopant Influence

Accurate spin-orbit and spin-other-orbit contributions to the g-tensor for transition metal containing systemsElectronic supplementary information (ESI) available: See DOI: 10.1039/c2cp41086a

Determining the storage, availability and reactivity of NH 3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

Determining the storage, availability and reactivity of NH sub(3) within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

Water coordination and dehydration processes in defective UiO-66 type metal organic frameworksElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ce01027j

Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh 2+ Defects in NaCl as Case Study

Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl 2 O 4 , ZnGa 2 O 4 and ZnIn 2 O 4

Au-UiO-66: a base free oxidation catalyst

Erratum: Density functional theory study of La 2 Ce 2 O 7 : Disordered fluorite versus pyrochlore structure [Phys. Rev. B 84 , 054110 (2011)]

Ab initio EPR study of S and Se defects in alkali halides

Density functional theory study of La 2 Ce 2 O 7 : Disordered fluorite versus pyrochlore structure

Reactivity and kinetics of polyaromatic hydrocarbons in elementary radical reactions

ChemInform Abstract: ZEOBUILDER: A GUI Toolkit for the Construction of Complex Molecular Structures on the Nanoscale with Building Blocks

Frontispiece: Overview of N‐Rich Antennae Investigated in Lanthanide‐Based Temperature Sensing

Structural and Photophysical Properties of Various Polypyridyl Ligands: A Combined Experimental and Computational Study

138 Late prenatal repair of open spina bifida (OSB) and postnatal cerebrospinal fluid (CSF) diversion

Risk factors for postnatal cerebrospinal fluid diversion after percutaneous fetoscopic open spina bifida repair

Front Cover: Structural and Photophysical Properties of Various Polypyridyl Ligands: A Combined Experimental and Computational Study (ChemPhysChem 22/2020)

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