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Lithium Batteries and the Solid Electrolyte Interphase (SEI)—Progress and Outlook

Advanced energy materials, 2023-03, Vol.13 (10), p.n/a

2023

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A Database of Solution Additives Promoting Mg2+ Dehydration and the Onset of MgCO3 Nucleation

Crystal growth & design, 2022-05, Vol.22 (5), p.3080-3089

2022

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Recycling the Waste: The Development of a Catalytic Wittig Reaction

Angewandte Chemie (International ed.), 2009-01, Vol.48 (37), p.6836-6839

2009

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New insights into the role of solution additive anions in Mg2+ dehydration: implications for mineral carbonation

CrystEngComm, 2021-07, Vol.23 (28), p.4896-4900

2021

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Nickel-Catalyzed Three-Component Unsymmetrical Bis-Allylation of Alkynes with Alkenes: A Density Functional Theory Study

Molecules (Basel, Switzerland), 2024-04, Vol.29 (7), p.1475

2024

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A Database of Solution Additives Promoting Mg 2+ Dehydration and the Onset of MgCO 3 Nucleation

Crystal growth & design, 2022-05, Vol.22 (5), p.3080-3089

2022

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Reduction Rate of 1‑Phenyl Phospholane 1‑Oxide Enhanced by Silanol Byproducts: Comprehensive DFT Study and Kinetic Modeling Linked to Reagent Design

Journal of organic chemistry, 2019-09, Vol.84 (17), p.10579-10592

2019

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Bioactivity of the cannabigerol cannabinoid and its analogues - the role of 3-dimensional conformation

Organic & biomolecular chemistry, 2023-06, Vol.21 (22), p.4683-4693

2023

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Easily Prepared Air- and Moisture-Stable Pd-NHC (NHC=N-Heterocyclic Carbene) Complexes: A Reliable, User-Friendly, Highly Active Palladium Precatalyst for the Suzuki-Miyaura Reaction

Chemistry : a European journal, 2006-06, Vol.12 (18), p.4743-4748

2006

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Reply to the ‘Comment on “Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory”’ by S. A. Glover, Phys. Chem. Chem. Phys. , 2019, 21 , 18012

Physical chemistry chemical physics : PCCP, 2019-12, Vol.21 (45), p.25513-25517

2019

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Aluminium catalysed oligomerisation in cement-forming silicate systems

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.455-461

2022

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Atomic and vibrational origins of mechanical toughness in bioactive cement during setting

Nature communications, 2015-11, Vol.6 (1), p.8631-8631, Article 8631

2015

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Systematic characterisation of the structure and radical scavenging potency of Pu'Er tea () polyphenol theaflavin

Organic & biomolecular chemistry, 2019-11, Vol.17 (46), p.9942-995

2019

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Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (2), p.837-845

2016

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From Molten Calcium Aluminates through Phase Transitions to Cement Phases

Advanced science, 2020-01, Vol.7 (2), p.1902209-n/a

2020

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Pd-NHC catalysed regioselective activation of B(3,6)-H of o -carborane - a synergy between experiment and theory

Dalton transactions : an international journal of inorganic chemistry, 2023-08, Vol.52 (30), p.10609-10620

2023

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Resolving nanoscopic structuring and interfacial THz dynamics in setting cements

Materials advances, 2022-06, Vol.3 (12), p.4982-499

2022

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Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity

Journal of the American Chemical Society, 2010-07, Vol.132 (28), p.9564-9566

2010

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Density Functional Theory Investigation of the Alkyl–Alkyl Negishi Cross‐Coupling Reaction Catalyzed by N‐Heterocyclic Carbene (NHC)–Pd Complexes

Chemistry : a European journal, 2009-01, Vol.15 (17), p.4281-4288

2009

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Optimal Icosahedral Copper-Based Bimetallic Clusters for the Selective Electrocatalytic CO2 Conversion to One Carbon Products

Nanomaterials (Basel, Switzerland), 2023-01, Vol.13 (1), p.87

2023

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Excitonic Character in Optical Properties of Tetrahedral CdX (X = S, Se, Te) Clusters

Journal of physical chemistry. C, 2015-12, Vol.119 (52), p.29171-29177

2015

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Theoretical Insights into the Structure of the Aminotris(Methylenephosphonic Acid) (ATMP) Anion: A Possible Partner for Conducting Ionic Media

Symmetry (Basel), 2020-06, Vol.12 (6), p.920

2020

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How the Surface Structure Determines the Properties of CuH

Inorganic chemistry, 2015-03, Vol.54 (5), p.2213-2220

2015

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Periodic vs. molecular cluster approaches to resolving glass structure and properties: Anorthite a case study

Journal of non-crystalline solids, 2016-11, Vol.451, p.138-145

2016

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Amidicity Change as a Significant Driving Force and Thermodynamic Selection Rule of Transamidation Reactions. A Synergy between Experiment and Theory

The journal of physical chemistry. B, 2008-07, Vol.112 (26), p.7885-7893

2008

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Lithium Batteries and the Solid Electrolyte Interphase (SEI)—Progress and Outlook

A Database of Solution Additives Promoting Mg2+ Dehydration and the Onset of MgCO3 Nucleation

Recycling the Waste: The Development of a Catalytic Wittig Reaction

New insights into the role of solution additive anions in Mg2+ dehydration: implications for mineral carbonation

Nickel-Catalyzed Three-Component Unsymmetrical Bis-Allylation of Alkynes with Alkenes: A Density Functional Theory Study

A Database of Solution Additives Promoting Mg 2+ Dehydration and the Onset of MgCO 3 Nucleation

Reduction Rate of 1‑Phenyl Phospholane 1‑Oxide Enhanced by Silanol Byproducts: Comprehensive DFT Study and Kinetic Modeling Linked to Reagent Design

Bioactivity of the cannabigerol cannabinoid and its analogues - the role of 3-dimensional conformation

Easily Prepared Air- and Moisture-Stable Pd-NHC (NHC=N-Heterocyclic Carbene) Complexes: A Reliable, User-Friendly, Highly Active Palladium Precatalyst for the Suzuki-Miyaura Reaction

Reply to the ‘Comment on “Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory”’ by S. A. Glover, Phys. Chem. Chem. Phys. , 2019, 21 , 18012

Aluminium catalysed oligomerisation in cement-forming silicate systems

Atomic and vibrational origins of mechanical toughness in bioactive cement during setting

Systematic characterisation of the structure and radical scavenging potency of Pu'Er tea () polyphenol theaflavin

Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements

From Molten Calcium Aluminates through Phase Transitions to Cement Phases

Pd-NHC catalysed regioselective activation of B(3,6)-H of o -carborane - a synergy between experiment and theory

Resolving nanoscopic structuring and interfacial THz dynamics in setting cements

Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity

Density Functional Theory Investigation of the Alkyl–Alkyl Negishi Cross‐Coupling Reaction Catalyzed by N‐Heterocyclic Carbene (NHC)–Pd Complexes

Optimal Icosahedral Copper-Based Bimetallic Clusters for the Selective Electrocatalytic CO2 Conversion to One Carbon Products

Excitonic Character in Optical Properties of Tetrahedral CdX (X = S, Se, Te) Clusters

Theoretical Insights into the Structure of the Aminotris(Methylenephosphonic Acid) (ATMP) Anion: A Possible Partner for Conducting Ionic Media

How the Surface Structure Determines the Properties of CuH

Periodic vs. molecular cluster approaches to resolving glass structure and properties: Anorthite a case study

Amidicity Change as a Significant Driving Force and Thermodynamic Selection Rule of Transamidation Reactions. A Synergy between Experiment and Theory

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