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Inorganic Chemistry

Working Paper

Dynamics of Bound States of Dihydrogen at Cu(I) and Cu(II) Species Coordinated near One and Two Zeolite Framework Aluminium Atoms: A Combined Sorption, INS, IR and DFT Study

Peter Georgiev, N. Drenchevb, Konstantin I. Hadjiivanov, Jacques Ollivier, Tobias Unruh, Alberto Albinati

Version 1 posted 22 January 2021

303

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Catalysis

Working Paper

Electrochemical Formation of C-S Bonds from CO2 and Small Molecule Sulfur Species

Junnan Li, Hasan Al-Mahayni, Daniel Chartrand, Ali Seifitokaldani, Nikolay Kornienko

Version 3 posted 10 April 2023

1,702

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Catalysis

Working Paper

NMR Signatures and Electronic Structures of Ti-sites in Titanosilicalite-1 from solid-state 47/49Ti NMR Spectroscopy

Lukas Lätsch, Imke B. Müller, Alia Hassan, Barbara Perrone, Sadig Aghazada, Zachariah J. Berkson, Alexander V. Yakimov, Trees De Baerdemaeker, Andrei-Nicolae Parvulescu, Karsten Seidel, J. Henrique Teles, Christophe Copéret

Version 1 posted 15 September 2022

583

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Physical Chemistry

Working Paper

Surface Sites and Ligation of Amine-capped CdSe Nanocrystals

Weicheng Cao, Alexander Yakimov, Xudong Qian, Jiongzhao Li, Xiaogang Peng, Xueqian Kong, Christophe Copéret

Version 1 posted 06 October 2022

373

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1

Citations

Catalysis

Working Paper

The Mechanism of CO2 Electroreduction to Multi- carbon Products over Iron Phthalocyanine Single-Atom Catalyst

Reza Khakpour, Kaveh Farshadfar, Si-Thanh Dong, Benedikt Lassalle-Kaiser, Kari Laasonen, Michael Busch

Version 1 posted 08 December 2023

259

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Catalysis

Working Paper

Nature of Reactive Sites in TS-1 from 15N solid-state NMR and Ti K-edge X-Ray Absorption Spectroscopic Signatures upon Pyridine Adsorption

Lukas Lätsch, Christoph J. Kaul, Alexander V. Yakimov, Rhaínna McEntee, Trees De Baerdemaeker, Andrei-Nicolae Parvulescu, Karsten Seidel, J. Henrique Teles, Christophe Copéret

Version 2 posted 09 October 2024

232

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Catalysis

Working Paper

Formation and Stability of μ2-Peroxo on Titanosilicates, Anatase and Rutile: Implications for Zeotype Catalysts

Lukas Lätsch, Imke B. Müller, Christoph J. Kaul, Trees De Baerdemaeker, Andrei-Nicolae Parvulescu, Karsten Seidel, Natalia Trukhan, J. Henrique Teles, Christophe Copéret

Version 1 posted 20 December 2023

220

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7 results in DFT Modelling in Keywords: DFT Modelling

Dynamics of Bound States of Dihydrogen at Cu(I) and Cu(II) Species Coordinated near One and Two Zeolite Framework Aluminium Atoms: A Combined Sorption, INS, IR and DFT Study

Electrochemical Formation of C-S Bonds from CO2 and Small Molecule Sulfur Species

NMR Signatures and Electronic Structures of Ti-sites in Titanosilicalite-1 from solid-state 47/49Ti NMR Spectroscopy

Surface Sites and Ligation of Amine-capped CdSe Nanocrystals

The Mechanism of CO2 Electroreduction to Multi- carbon Products over Iron Phthalocyanine Single-Atom Catalyst

Nature of Reactive Sites in TS-1 from 15N solid-state NMR and Ti K-edge X-Ray Absorption Spectroscopic Signatures upon Pyridine Adsorption

Formation and Stability of μ2-Peroxo on Titanosilicates, Anatase and Rutile: Implications for Zeotype Catalysts

7 results in Keywords: DFT Modelling