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Finite-size Effects on the Calculation of X-ray Scattering from Molecular Dynamics Simulations

Asmus Ougaard Dohn, Verena Isabell Markmann, Amke Nimmrich, Kristoffer Haldrup, Klaus Braagaard Møller, Martin Meedom Nielsen

Version 2 posted 22 June 2023

419

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Materials Chemistry

Working Paper

Continuous structure modification of metal- organic framework glasses via halide salts

Fengming Cao, Søren Strandskov Sørensen, Anders K. R. Christensen, Samraj Mollick, Xuan Ge, Daming Sun, Anders B. Nielsen, Niels Christian Nielsen, Peter K. Kristensen, Lars R. Jensen, Francesco Dallari, Jacopo Baglioni, Giulio Monaco, Martin A. Karlsen, Volodymyr Baran, Morten M. Smedskjaer

Version 1 posted 14 August 2024

353

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Physical Chemistry

Working Paper

Boosting membrane interactions and antimicrobial effects of photocatalytic titanium dioxide nanoparticles by peptide coating.

Lucrezia Caselli, Elisa Parra-Ortiz, Samantha Micciulla, Maximilian Skoda, Sara Malekkhaiat Häffner, Emilie Marie Nielsen, Mariena van der Plas, Martin Malmsten

Version 1 posted 18 October 2023

191

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Catalysis

Working Paper

Adsorbate Resonance Induces Water-Metal Bonds in Electrochemical Interfaces

Marcus Frahm Nygaard, Martin L. S. Nielsen, Jan Rossmeisl

Version 1 posted 24 July 2024

183

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Nanoscience

Working Paper

Antimicrobial peptide coating of TiO2 nanoparticles for boosted antimicrobial effects

Lucrezia Caselli, Tanja Traini, Samantha Micciulla, Federica Sebastiani, Sebastian Köhler, Emilie Marie Nielsen, Ragna Guldsmed Diedrichsen, Maximilian W. A. Skoda, Martin Malmsten

Version 1 posted 25 April 2024

109

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1

Citations

Physical Chemistry

Working Paper

Characterization of deformational isomerization potential and interconversion dynamics with ultrafast x-ray solution scattering

Natalia E. Powers-Riggs, Benedikt O. Birgisson, Sumana Raj, Elisa Biasin, Philipp Lenzen, Diana Bregenholt Zederkof, Morten Haubro, Dagrún K. V. Tveiten, Robert Hartsock, Tim B. van Driel, Kristjan Kunnus, Matthieu Chollet, Joseph Robinson, Silke Nelson, Ruaridh Forbes, Kristoffer Haldrup, Kasper Steen Pedersen, Gianluca Levi, Asmus Ougaard Dohn, Hannes Jónsson, Klaus Braagaard Møller, Adi Natan, Martin Meedom Nielsen, Kelly Gaffney

Version 1 posted 29 March 2024

295

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Materials Science

Working Paper

Ab Initio to activity: Machine learning assisted optimization of high-entropy alloy catalytic activity.

Christian Møgelberg Clausen, Martin Lillebro Striib Nielsen, Jack Kirk Pedersen, Jan Rossmeisl

Version 2 posted 01 June 2022

1,221

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Organic Chemistry

Working Paper

Stereospecific, Pyrylium Salt-Catalyzed O-Glycosylations of Phenols and Alkyl Alcohols

Michael Martin Nielsen, Thomas Holmstrøm, Christian Marcus Pedersen

Version 1 posted 10 November 2021

644

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Catalysis

Working Paper

Versatile CO2 hydrogenation-dehydrogenation catalysis with Ru-PNP/ionic liquid system

Luca Piccirilli, Brenda Rabell, Rosa Padilla, Anders Riisager, Shoubhik Das, Martin Nielsen

Version 1 posted 29 September 2022

584

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Chemical Engineering and Industrial Chemistry

Working Paper

Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds - a Step Toward Nacre Mimicry.

Anne Rath Nielsen, Stanislav Jelavic, Daniel Murray, Behzad Rad, Martin Andersson, Marcel Ceccato, Andrew Mitchell, Susan Stipp, Ron N. Zuckermann, Karina Sand

Version 1 posted 19 December 2019

367

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15 results in Martin Nielsen in Authors: Martin Nielsen

Finite-size Effects on the Calculation of X-ray Scattering from Molecular Dynamics Simulations

Continuous structure modification of metal- organic framework glasses via halide salts

Boosting membrane interactions and antimicrobial effects of photocatalytic titanium dioxide nanoparticles by peptide coating.

Adsorbate Resonance Induces Water-Metal Bonds in Electrochemical Interfaces

Antimicrobial peptide coating of TiO2 nanoparticles for boosted antimicrobial effects

Characterization of deformational isomerization potential and interconversion dynamics with ultrafast x-ray solution scattering

Ab Initio to activity: Machine learning assisted optimization of high-entropy alloy catalytic activity.

Stereospecific, Pyrylium Salt-Catalyzed O-Glycosylations of Phenols and Alkyl Alcohols

Versatile CO2 hydrogenation-dehydrogenation catalysis with Ru-PNP/ionic liquid system

Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds - a Step Toward Nacre Mimicry.

15 results in Authors: Martin Nielsen