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Effects of surface wettability on (001)-WO and (100)-WSe: A spin-polarized DFT-MD study
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Effects of surface wettability on (001)-WO and (100)-WSe: A spin-polarized DFT-MD study

Creazzo, Fabrizio ; Ketkaew, Rangsiman ; Sivula, Kevin ; Luber, Sandra

Elsevier 2022-11

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Bifunctional single atom electrocatalysts: coordination–performance correlations and reaction pathways
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Bifunctional single atom electrocatalysts: coordination–performance correlations and reaction pathways

Wan, Wenchao ; Triana, Carlos A ; Lan, Jinggang ; Li, Jingguo ; Allen, Christopher S ; Zhao, Yonggui ; Iannuzzi, Marcella ; Patzke, Greta R

American Chemical Society (ACS) 2020-10

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Driving a Third Generation Molecular Motor with Electrons Across a Surface
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Driving a Third Generation Molecular Motor with Electrons Across a Surface

Srivastava, Gitika ; Štacko, Peter ; Mendieta-Moreno, Jesús I ; Edalatmanesh, Shayan ; Kistemaker, Jos C M ; Heideman, G Henrieke ; Zoppi, Laura ; Parschau, Manfred ; Feringa, Ben L ; Ernst, Karl-Heinz

American Chemical Society (ACS) 2023-02

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Explicit solvent effects on (1 1 0) ruthenium oxide surface wettability: Structural, electronic and mechanical properties of rutile RuO2 by means of spin-polarized DFT-MD
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Explicit solvent effects on (1 1 0) ruthenium oxide surface wettability: Structural, electronic and mechanical properties of rutile RuO2 by means of spin-polarized DFT-MD

Creazzo, Fabrizio ; Luber, Sandra

Elsevier 2021-12

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5
Non-oxidative photoreaction of 1,3,5-triaryl-2-pyrazoline-4-ol (4-methoxy) derivatives
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Non-oxidative photoreaction of 1,3,5-triaryl-2-pyrazoline-4-ol (4-methoxy) derivatives

Ebrahimi, Fatemeh ; Memarian, Hamid Reza ; Rudbari, Hadi Amiri ; Blacque, Olivier

Elsevier 2023-02

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Printable and Versatile Superhydrophobic Paper via Scalable Nonsolvent Armor Strategy
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Printable and Versatile Superhydrophobic Paper via Scalable Nonsolvent Armor Strategy

Liu, Shanqiu ; Chen, Kangwei ; Salim, Alma ; Li, Jingguo ; Bottone, Davide ; Seeger, Stefan

American Chemical Society (ACS) 2022-06

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Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations
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Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations

Zeng, Zezhu ; Wodaczek, Felix ; Liu, Keyang ; Stein, Frederick ; Hutter, Jürg ; Chen, Ji ; Cheng, Bingqing

Nature Publishing Group 2023-10

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Non-invasive molecularly-specific millimeter-resolution manipulation of brain circuits by ultrasound-mediated aggregation and uncaging of drug carriers
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Non-invasive molecularly-specific millimeter-resolution manipulation of brain circuits by ultrasound-mediated aggregation and uncaging of drug carriers

Ozdas, Mehmet S ; Shah, Aagam S ; Johnson, Paul M ; Patel, Nisheet ; Marks, Markus ; Yasar, Tansel Baran ; Stalder, Urs ; Bigler, Laurent ; von der Behrens, Wolfger ; Sirsi, Shashank R ; Yanik, Mehmet Fatih

Nature Publishing Group 2020-12

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Sensing the allosteric force
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Sensing the allosteric force

Bozovic, Olga ; Jankovic, Brankica ; Hamm, Peter

Nature Publishing Group 2020-12

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Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapy
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Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapy

Karges, Johannes ; Kuang, Shi ; Maschietto, Federica ; Blacque, Olivier ; Ciofini, Ilaria ; Chao, Hui ; Gasser, Gilles

Nature Publishing Group 2020-12

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