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Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (4), p.1639-1650

2014

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Accurate spin―orbit and spin―other-orbit contributions to the g-tensor for transition metal containing systems

Physical chemistry chemical physics : PCCP, 2012-08, Vol.14 (30), p.10690-10704

2012

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Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh2+ 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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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 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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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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Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study

Inorganic chemistry, 2015-11, Vol.54 (22), p.10701-10710

2015

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Mn-salen@MIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach

Chemical communications (Cambridge, England), 2013-09, Vol.49 (73), p.8021-8023

2013

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Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

The Journal of chemical physics, 2014-04, Vol.140 (13), p.134105-134105

2014

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Hybrid-Input FCN-CNN-SE for Industrial Applications: Classification of Longitudinal Cracks during Continuous Casting

Metals (Basel ), 2023-10, Vol.13 (10), p.1699

2023

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An Incremental Grey-Box Current Regression Model for Anomaly Detection of Resistance Mash Seam Welding in Steel Mills

Applied sciences, 2022-01, Vol.12 (2), p.913

2022

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Dominant Stable Radicals in Irradiated Sucrose: g Tensors and Contribution to the Powder Electron Paramagnetic Resonance Spectrum

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7169-7178

2013

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Hybrid static-sensory data modeling for prediction tasks in basic oxygen furnace process

Applied intelligence (Dordrecht, Netherlands), 2023-06, Vol.53 (12), p.15163-15173

2023

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Determination of the Nature of the Cu Coordination Complexes Formed in the Presence of NO and NH3 within SSZ-13

Journal of physical chemistry. C, 2015-10, Vol.119 (43), p.24393-24403

2015

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Binary and ternary Po-containing molecules relevant for LBE cooled reactors at operating temperature

Journal of nuclear materials, 2015-03, Vol.458, p.288-295

2015

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

Theoretical chemistry accounts, 2016-04, Vol.135 (4), Article 102

2016

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Solution enthalpy of Po and Te in solid lead–bismuth eutectic

Journal of nuclear materials, 2014-07, Vol.450 (1-3), p.287-291

2014

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Automated generation of radical species in crystalline carbohydrate using ab initioMD simulations

Physical chemistry chemical physics : PCCP, 2014-07, Vol.16 (32), p.17196-17205

2014

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Ab initio study of the trapping of polonium on noble metals

Journal of nuclear materials, 2016-04, Vol.472, p.35-42

2016

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Determination of the Nature of the Cu Coordination Complexes Formed in the Presence of NO and NH 3 within SSZ-13

Journal of physical chemistry. C, 2015-10, Vol.119 (43), p.24393-24403

2015

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Automated generation of radical species in crystalline carbohydrate using ab initio MD simulations

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (32), p.17196-17205

2014

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Mn-salen@MIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approachElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cc44473b

2013-08

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Mn-salenIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach

Chemical communications (Cambridge, England), 2013-08, Vol.49 (73), p.8021-8023

2013

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Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

Accurate spin―orbit and spin―other-orbit contributions to the g-tensor for transition metal containing systems

Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh2+ Defects in NaCl as Case Study

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

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

Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study

Mn-salen@MIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach

Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

Hybrid-Input FCN-CNN-SE for Industrial Applications: Classification of Longitudinal Cracks during Continuous Casting

An Incremental Grey-Box Current Regression Model for Anomaly Detection of Resistance Mash Seam Welding in Steel Mills

Dominant Stable Radicals in Irradiated Sucrose: g Tensors and Contribution to the Powder Electron Paramagnetic Resonance Spectrum

Hybrid static-sensory data modeling for prediction tasks in basic oxygen furnace process

Determination of the Nature of the Cu Coordination Complexes Formed in the Presence of NO and NH3 within SSZ-13

Binary and ternary Po-containing molecules relevant for LBE cooled reactors at operating temperature

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

Solution enthalpy of Po and Te in solid lead–bismuth eutectic

Automated generation of radical species in crystalline carbohydrate using ab initioMD simulations

Ab initio study of the trapping of polonium on noble metals

Determination of the Nature of the Cu Coordination Complexes Formed in the Presence of NO and NH 3 within SSZ-13

Automated generation of radical species in crystalline carbohydrate using ab initio MD simulations

Mn-salen@MIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approachElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cc44473b

Mn-salenIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach

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