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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 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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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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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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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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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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Normal modes for large molecules with arbitrary link constraintsin the mobile block Hessian approach

The Journal of chemical physics, 2009-02, Vol.130 (8), p.084107-084107-12

2009

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Publisher's Note: "An extended hindered-rotor model with incorporation of Coriolis and vibrational-rotational coupling for calculating partition functions and derived quantities" [ J. Chem. Phys. 124 , 044314 ( 2006 )]

The Journal of chemical physics, 2006-07, Vol.125 (4), p.049902-049902-1

2006

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An extended hindered-rotor model with incorporation of Coriolisand vibrational-rotational coupling for calculating partition functionsand derived quantities

The Journal of chemical physics, 2006-01, Vol.124 (4), p.044314-044314-14

2006

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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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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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Strongly Reducing (Diarylamino)benzene-Based Covalent Organic Framework for Metal-Free Visible Light Photocatalytic H 2 O 2 Generation

Journal of the American Chemical Society, 2020-11, Vol.142 (47), p.20107-20116

2020

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N ‐ Rich Porous Polymer with Isolated Tb 3+ ‐Ions Displays Unique Temperature Dependent Behavior through the Absence of Thermal Quenching

Chemistry : a European journal, 2020-12, Vol.26 (67), p.15596-15604

2020

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Electronic properties of heterogenized Ru(ii) polypyridyl photoredox complexes on covalent triazine frameworksElectronic supplementary information (ESI) available. See DOI: 10.1039/c9ta00573k

2019-04

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Quantifying the Likelihood of Structural Models through a Dynamically Enhanced Powder X‐Ray Diffraction Protocol

Angewandte Chemie, 2021-04, Vol.133 (16), p.8995-9004

2021

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

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

Tetravalent Doping of CeO^sub 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

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

Normal modes for large molecules with arbitrary link constraintsin the mobile block Hessian approach

Publisher's Note: "An extended hindered-rotor model with incorporation of Coriolis and vibrational-rotational coupling for calculating partition functions and derived quantities" [ J. Chem. Phys. 124 , 044314 ( 2006 )]

An extended hindered-rotor model with incorporation of Coriolisand vibrational-rotational coupling for calculating partition functionsand derived quantities

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

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

Strongly Reducing (Diarylamino)benzene-Based Covalent Organic Framework for Metal-Free Visible Light Photocatalytic H 2 O 2 Generation

N ‐ Rich Porous Polymer with Isolated Tb 3+ ‐Ions Displays Unique Temperature Dependent Behavior through the Absence of Thermal Quenching

Electronic properties of heterogenized Ru(ii) polypyridyl photoredox complexes on covalent triazine frameworksElectronic supplementary information (ESI) available. See DOI: 10.1039/c9ta00573k

Quantifying the Likelihood of Structural Models through a Dynamically Enhanced Powder X‐Ray Diffraction Protocol

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