Ainara Nova
Jiali Liu,
Raquel J. Rama,
Tomas Cordero-Lanzac,
Robert Franke,
Ainara Nova Flores
:
Outer-sphere CO release mechanism in the methanol to syngas reaction catalyzed by a Ru-PNP pincer complex
ChemRxiv 2024
Yunfei Bai,
Tomás Cordero-Lanzac,
Ainara Nova Flores,
Unni Olsbye,
Esben Taarning,
Juan S. Martinez-Espin
:
Selective linear ethylene oligomerization over nickel-containing zeotypes with tetravalent framework heteroatoms
Catalysis Science & Technology 2024 DOI
Hannes Kneiding,
Ainara Nova Flores,
David Balcells Badia
:
Directional multiobjective optimization of metal complexes at the billion-system scale
Nature Computational Science 2024 DOI
Dag Kristian Sannes,
Sri Harsha Pulumati,
Egill Skúlason,
Ainara Nova Flores,
Unni Olsbye
:
COPhilosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 2024 DOI
Hongwei Sun,
Alexander Ahrens,
Gabriel Martins Ferreira Batista,
Bjarke S. Donslund,
Anne K. Ravn,
Emil Vincent Schwibinger
et al.:
Solvent-base mismatch enables the deconstruction of epoxy polymers and bisphenol A recovery
Karthik Gadde,
Narendraprasad Reddy Bheemireddy,
Juliane Heitkämper,
Ainara Nova Flores,
Bert Maes
:
Directed Palladium-Catalyzed γ-C(sp3)-H Alkenylation of (Aza and Oxa) Cyclohexanamines with Bromoalkenes: Bromide Precipitation as an Alternative to Silver Scavenging
ACS Catalysis 2024 DOI
Aurore Evelyne Francine Denjean,
Ainara Nova Flores,
David Balcells Badia
:
Borrowing Hydrogen Mechanism in Amine Alkylation by Single Atom Nickel Catalysts
ACS Catalysis 2024 DOI
Raquel J. Rama,
Ainara Nova Flores,
M. Carmen Nicasio
:
Microkinetic Model as a Crucial Tool for Understanding Homogeneous Catalysis
ChemCatChem 2024 DOI
Mahika Luthra,
Abril C Castro,
David Balcells Badia,
Kim Daasbjerg,
Ainara Nova Flores
:
Metal-Dependent Mechanism of the Electrocatalytic Reduction of COACS Organic & Inorganic Au 2024 DOI
Erlend Aunan,
Sebastian Prodinger,
Ning Cao,
Karl Petter LIllerud,
Ainara Nova Flores,
Unni Olsbye
:
Partial oxidation of cyclohexene over histidine-modified Cu-UiO-66 under aerobic conditions
Journal of Catalysis 2024 DOI
Alexander Ahrens,
Gabriel Martins Ferreira Batista,
Hans Christian D. Hammershøj,
Emil Vincent Schwibinger,
Ainara Nova Flores,
Troels Skrydstrup
:
Unveiling the mechanism of triphos-Ru catalysed C–O bond disconnections in polymers
Nature Communications 2024 DOI
Sarah Jenny,
Juan M. Serviano,
Ainara Nova Flores,
Graham E. Dobereiner
:
A Hydride Migration Mechanism for the Mo-Catalyzed Z-2-Selective Isomerization of Terminal Alkenes
Linn Neerbye Berntsen,
Ainara Nova Flores
:
A Mechanistic Study of the Cu-catalyzed N-arylation of Hydantoin with Aryl(TMP)iodonium Salts
Sri Harsha Pulumati,
Dag Kristian Sannes,
Christia R. Jabbour,
Laurens D. B. Mandemaker,
Bert M. Weckhuysen,
Unni Olsbye
et al.:
Mechanistic Insights in the Catalytic Hydrogenation of CO
Marte Sofie Martinsen Holmsen,
Ainara Nova Flores,
Mats Tilset
:
Cyclometalated (N,C) Au(III) Complexes: The Impact of Trans Effects on Their Synthesis, Structure, and Reactivity
Dag Kristian Sannes,
Sigurd Øien-Ødegaard,
Erlend Aunan,
Ainara Nova,
Unni Olsbye
:
Quantification of Linker Defects in UiO-Type Metal-Organic Frameworks
Raquel J. Rama,
Celia Maya,
Francisco Molina,
Ainara Nova Flores,
M. Carmen Nicasio
:
Important Role of NH-Carbazole in Aryl Amination Reactions Catalyzed by 2-Aminobiphenyl Palladacycles
Wanwan Hong,
Mahika Luthra,
Joakim B. Jakobsen,
Monica R. Madsen,
Abril C Castro,
Hans Christian D. Hammershøj
et al.:
Exploring the Parameters Controlling Product Selectivity in Electrochemical CO
Yunfei Bai,
Esben Taarning,
Mahika Luthra,
Lars F. Lundegaard,
Anna Katerinopoulou,
Hanne Falsig
et al.:
Tracking Lattice Distortion Induced by Defects and Framework Tin in Beta Zeotypes
Hannes Kneiding,
Ainara Nova Flores,
David Balcells Badia
:
Directional Multiobjective Optimization of Metal Complexes at the Billion-Scale with the tmQMg-L Dataset and PL-MOGA Algorithm
Rosie J. Somerville,
Andryj M. Borys,
Marina Perez-Jimenez,
Ainara Nova,
David Balcells Badia,
Lorraine A. Malaspina
et al.:
Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: revealing the hidden C6H4 ligand†
Knut Tormodssønn Hylland,
Inga Schmidtke,
David Stephen Wragg,
Ainara Nova,
Mats Tilset
:
Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions
Hannes Kneiding,
Ainara Nova Flores,
David Balcells Badia
:
Directional Multiobjective Evolution of Metal Complexes at the Billion-Scale
2024
Ainara Nova Flores
:
Modelling homogeneous catalysis using computational methods
2024
Mohamed Eid Ahmed Safy,
Raquel Jimenez Rama,
David Balcells Badia,
Ainara Nova Flores
:
CO2 hydrogenation to methanol beyond Ru-MACHO: A DFT and microkinetic modeling study
2024
Inga Schmidtke,
Christina Erken,
Timo Repo,
Ainara Nova Flores
:
Ethylene hydrogenation via Rh(III)-dimers: a mechanistic study
2024
Aurore Evelyne Francine Denjean,
Ainara Nova Flores,
David Balcells Badia
:
Computational Insights into Graphene-Based Single Atom Nickel Catalysts for Amine Alkylation via the Borrowing Hydrogen Mechanism
2024
Aurore Evelyne Francine Denjean,
Ainara Nova Flores,
David Balcells Badia
:
Graphene-based Nickel(II) Single-Atom Catalyst for Borrowing Hydrogen: a DFT study
2024
Inga Schmidtke,
Christina Erken,
Timo Repo,
Ainara Nova Flores
:
Computational insights into ethylene hydrogenation via Rh(III)-dimers
2024
Inga Schmidtke,
Christina Erken,
Abril C Castro,
Timo Repo,
Ainara Nova Flores
:
Ethylene hydrogenation via Rh(III)-dimers: a mechanistic study
2024
Inga Schmidtke,
Christina Erken,
Timo Repo,
Ainara Nova Flores
:
Mechanistic DFT studies on the formation of a novel Rh(I)-ethylene complex
2024
Aurore Evelyne Francine Denjean,
Ainara Nova Flores,
David Balcells Badia
:
Amine Alkylation with Single Atom Nickel Catalysts: Computational Insights into the Hydrogen Borrowing Mechanism
2024
Ainara Nova Flores
:
Exploring the Potential of Bifunctional Catalysts
2024
Ainara Nova Flores
:
Modelling reaction mechanisms on multicomponent porous materials
2024
Ainara Nova Flores
:
Modeling Bifunctional Catalysts in Hydrogen Transfer Reactions
2024
Raquel J. Rama,
Unni Olsbye,
Ainara Nova Flores
:
Metallolinker-Functionalized UiO-67 MOF Catalysts for CO2 Hydrogenation to Methanol
2024
Raquel J. Rama,
Unni Olsbye,
Ainara Nova Flores
:
Synthesis of Linker-Based Bifunctional Ligands for UiO-67
Metal-Organic Frameworks
2024
Hannes Kneiding,
David Balcells Badia,
Ainara Nova Flores
:
Directional Multiobjective Optimization of Metal Complexes In Vast Chemical Spaces
2024
Hannes Kneiding,
David Balcells Badia,
Ainara Nova Flores
:
Directional Evolutionary Multiobjective Optimization of Metal Complexes at the Billion-Scale
2024
Ainara Nova Flores
:
Modelling (De-)Hydrogenation Reactions using Bifunctional Catalysts
2023
Ainara Nova Flores
:
Recycling CO2 will help minimising climate effects
NordForsk Rapporter 2023
Hannes Kneiding,
Ainara Nova Flores,
David Balcells Badia
:
Evolutionary Multiobjective Optimization for Transition Metal Complexes
2023
Hannes Kneiding,
Ainara Nova Flores,
David Balcells Badia
:
Evolutionary Multiobjective Optimization for Transition Metal Complexes
2023
Karl Stefan Norén,
Mats Tilset,
Ainara Nova Flores
:
Synthesis and characterization of molecules for gold (III) catalysis
2023 FULLTEKST
Linn Neerbye Berntsen,
Ainara Nova Flores
:
Development of New Synthetic Methods for the Preparation of N-functionalized Hydantoins
2023 FULLTEKST
Ainara Nova Flores
:
Modelling reaction mechanisms of multicomponent catalytic systems
2023
Inga Schmidtke,
Christina Erken,
Timo Repo,
Ainara Nova Flores
:
Mechanistic DFT studies on the formation of a novel Rh(I)-ethylene complex
2023
Inga Schmidtke,
Christina Erken,
Timo Repo,
Ainara Nova Flores
:
Mechanistic DFT studies of the formation of a novel Rh(I)-ethylene complex
2023
Dag Kristian Sannes,
Sigurd Øien-Ødegaard,
Erlend Aunan,
Ainara Nova Flores,
Unni Olsbye
:
Quantification of linker defects in UiO-type metal-organic frameworks
2023
Ainara Nova Flores,
Troels Skrydstrup,
Kim Daasbjerg,
Annette Bayer,
Liselotte Karulf
:
Recommendations for Future CO2 Management in the Nordic Countries
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