Ainara Nova
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
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
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
ChemRxiv 2023 DOI
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
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
Accounts of Chemical Research 2023 DOI
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
Linn Neerbye Berntsen,
Ainara Nova Flores
:
A Mechanistic Study of the Cu-catalyzed N-arylation of Hydantoin with Aryl(TMP)iodonium Salts
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
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†
Juan Diego Pizarro,
Inga Schmidtke,
Ainara Nova,
Manuel R. Fructos,
Pedro J. Pérez
:
Selective Functionalization of Arene C(sp2)-H Bonds by Gold Catalysis: The Role of Carbene Substituents
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
Ainara Nova Flores,
Troels Skrydstrup,
Kim Daasbjerg,
Annette Bayer,
Liselotte Karulf
:
Recommendations for Future CO2 Management in the Nordic Countries
Karl Stefan Norén,
Mats Tilset,
Ainara Nova Flores
:
Synthesis and characterization of molecules for gold (III) catalysis
2023 FULLTEKST
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
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
:
Modelling reaction mechanisms of multicomponent catalytic systems
2023
Ainara Nova Flores
:
Recycling CO2 will help minimising climate effects
NordForsk Rapporter 2023
Ainara Nova Flores
:
Modelling (De-)Hydrogenation Reactions using Bifunctional Catalysts
2023
Inga Schmidtke,
Christina Erken,
Timo Repo,
Ainara Nova Flores
:
Mechanistic DFT studies of the formation of a novel Rh(I)-ethylene complex
2023
Inga Schmidtke,
Christina Erken,
Timo Repo,
Ainara Nova Flores
:
Mechanistic DFT studies on the formation of a novel Rh(I)-ethylene complex
2023
Linn Neerbye Berntsen,
Ainara Nova Flores
:
Development of New Synthetic Methods for the Preparation of N-functionalized Hydantoins
2023 FULLTEKST
Dag Kristian Sannes,
Sigurd Øien-Ødegaard,
Erlend Aunan,
Ainara Nova,
Unni Olsbye
:
Reliable determination of linker defects in UiO-type metal-organic frameworks
2022
Dag Kristian Sannes,
Sigurd Øien-Ødegaard,
Erlend Aunan,
Ainara Nova,
Unni Olsbye
:
Reliable determination of linker defects in UiO-type metal-organic frameworks
2022
Ainara Nova
:
The multiple roles of amines in CO2 conversion reactions
2022
Ainara Nova
:
The role of amines in the electrochemical reduction of CO2
2022
Ainara Nova
:
CO2 Hydrogenation to Methanol via Cooperative Mechanisms
2022
Mahika Luthra,
Ainara Nova,
David Balcells,
Abril C Castro
:
Mechanistic Insight into Electrocatalytic CO2 Reduction with
Mn Bipyride complexes using Ab-Initio MD and Static DFT
2022
Tamal Das,
Ainara Nova
:
The Multiple Configurations of μ3-OH Functionalized UiO-MOFs and its Potential Relevance in carbon capture and conversion
2022
Tamal Das,
Ainara Nova
:
Insights Into Multi Configuration Single Metal-Site MOF Based Catalysts: Structure, Stability and Dynamics Study
2022
Tamal Das,
Ainara Nova
:
The Multiple Configurations of μ3-OH Functionalized UiO-MOFs and its Potential Relevance in Catalysis
2022
Ning Cao,
Ainara Nova,
Unni Olsbye,
David Balcells
:
Structural characterization of Cu-UiO MOFs by DFT methods
2022
Tamal Das,
Ainara Nova
:
Insight Into the Multiple Configurations of MOF based Single-Site Catalysts: Structure, Stability and Dynamics
2022
Inga Schmidtke,
Juan Diego Pizarro,
Manuel R. Fructos,
Pedro J. Pérez,
Ainara Nova
:
Selective functionalization of arene C(sp2)-H bonds by gold catalysis
2022
Inga Schmidtke,
Juan Diego Pizarro,
Manuel R. Fructos,
Pedro J. Pérez,
Ainara Nova
:
Selective functionalization of arene C(sp2)-H bonds by gold catalysis
2022
Inga Schmidtke,
Juan Diego Pizarro,
Manuel R. Fructos,
Pedro J. Pérez,
Ainara Nova
:
Computational study on the role of carbene substituents in a Au(I)-catalyzed C-H-functionalization reaction
2022
Mohamed E. A. Safy,
David Balcells,
Ainara Nova
:
Hydrogenation of CO2 to methanol: What is beyond Ru-MACHO?
2022
Mohamed E. A. Safy,
David Balcells,
Ainara Nova
:
COMBINING DFT AND MACHINE LEARNING TOWARDS DISCOVERING OF NEW CATALYSTS FOR CO2 REDUCTION TO METHANOL
2022
Mohamed Eid Ahmed Safy,
Ainara Nova,
David Balcells
:
COMBINING DFT AND MACHINE LEARNING TOWARDS DISCOVERING OF SUPERIOR CATALYSTS FOR CO2 REDUCTION TO METHANOL
2022
Raquel Jimenez Rama,
Celia Maya,
Ainara Nova,
M. Carmen Nicasio
:
Mechanistic study of Pd-catalyzed C-N couplings supported by terphenyl phosphane ligands
2022
Raquel Jimenez Rama,
Celia Maya,
Ainara Nova,
M. Carmen Nicasio
:
Mechanistic study of palladium-catalyzed C-N couplings supported by terphenyl phosphane ligands
2022
Raquel Jimenez Rama,
Ainara Nova
:
Synthesis and characterization of linker-based ligands for the CO2 hydrogenation to methanol
2022
Ainara Nova
:
Modelling complex reaction mechanisms of catalytic processes using DFT methods
2021
Unni Olsbye,
Emil Sebastian Gutterød,
Andrea Lazzarini,
Torstein Fjermestad,
S.H. Pulumati,
Ainara Nova
et al.:
Mechanistic studies of CO2 hydrogenation to methanol, methane and CO over Pt-containing Zr-MOFs
2021
Ainara Nova
:
Modelling complex reaction mechanisms of catalytic processes using DFT methods
2021
Mahika Luthra,
Ainara Nova,
Abril C Castro,
David Balcells
:
Mechanistic Insight into the Electrochemical Reduction of CO2 using Homogenous Molecular Catalysts
2021
Julie Héron,
David Balcells,
Mats Tilset,
Ainara Nova Flores
:
C-H Activation and CuAAC Reactions with 1,8-Naphthyridine Based Dicopper Complexes from a Computational Perspective
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