Ainara Nova
Førstamenuensis II, Teoretisk og berengningsbasert kjemi
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
m.fl.:
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-system scale
Nature Computational Science 2024 DOI
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-Scale with the tmQMg-L Dataset and PL-MOGA Algorithm
ChemRxiv 2023 DOI
Dag Kristian Sannes,
Sigurd Øien-Ødegaard,
Erlend Aunan,
Ainara Nova,
Unni Olsbye
:
Quantification of Linker Defects in UiO-Type Metal-Organic Frameworks
Wanwan Hong,
Mahika Luthra,
Joakim B. Jakobsen,
Monica R. Madsen,
Abril C Castro,
Hans Christian D. Hammershøj
m.fl.:
Exploring the Parameters Controlling Product Selectivity in Electrochemical CO
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
Yunfei Bai,
Esben Taarning,
Mahika Luthra,
Lars F. Lundegaard,
Anna Katerinopoulou,
Hanne Falsig
m.fl.:
Tracking Lattice Distortion Induced by Defects and Framework Tin in Beta Zeotypes
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
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
Sri Harsha Pulumati,
Dag Kristian Sannes,
Christia R. Jabbour,
Laurens D. B. Mandemaker,
Bert M. Weckhuysen,
Unni Olsbye
m.fl.:
Mechanistic Insights in the Catalytic Hydrogenation of CO
Rosie J. Somerville,
Andryj M. Borys,
Marina Perez-Jimenez,
Ainara Nova,
David Balcells Badia,
Lorraine A. Malaspina
m.fl.:
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
m.fl.:
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
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