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6 results in Authors: Andrew Pell

Theoretical and Computational Chemistry

Delving into Theoretical and Computational Considerations for Accurate Calculation of Chemical Shifts in Paramagnetic Transition Metal Systems using Quantum Chemical Methods

Ashraful Islam, Andrew Pell

Version 3 posted 09 April 2024

354

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Inorganic Chemistry

Geometry and Electronic Structure of Yb(III)[CH(SiMe3)2]3 from EPR and solid-state NMR augmented by Computations

Anton Ashuiev, Florian Allouche, Md. Ashraful Islam, José P. Carvalho, Kevin J. Sanders, Matthew P. Conley, Daniel Klose, Giuseppe Lapadula, Michael Wörle, Dirk Baabe, Marc D. Walter, Andrew J. Pell, Christophe Copéret, Gunnar Jeschke, Guido Pintacuda, Richard A. Andersen

Version 2 posted 17 November 2023

645

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Analytical Chemistry

The Nature of Chemisorbed CO2 in Zeolite A

Przemyslaw Rzepka, Zoltán Bacsik, Andrew J. Pell, Niklas Hedin, Aleksander Jaworski

Version 2 posted 23 April 2019

1,230

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Materials Science

Crystal and Electronic Facet Analysis of Ultrafine Ni2P Particles by Solid-State NMR Nanocrystallography

Wassilios Papawassiliou, José P. Carvalho, Nikolaos Panopoulos, Yasser Alwahedi, Vijay Kumar Shankarayya Wadi, Xinnan Lu, Kyriaki Polychronopoulou, Jin Bae Lee, Sanggil Lee, Chang Yeon Kim, Hae Jin Kim, Marios Katsiotis, Vasileios Tzitzios, Marina Karagianni, Michael Fardis, Georgios Papavassiliou, Andrew Pell

Version 1 posted 08 December 2020

450

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Materials Chemistry

Probing the electronic structure and hydride occupancy in barium titanium oxyhydride through DFT-assisted solid-state NMR

Rihards Aleksis, Reji Nedumkandathil, Wassilios Papawassiliou, José Carvalho, Aleksander Jaworski, Ulrich Häussermann, Andrew Pell

Version 1 posted 22 September 2022

147

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Coordination environments of platinum single atom catalysts from NMR fingerprints

Jonas Koppe, Alexander V. Yakimov, Domenico Gioffrè, Marc-Eduard Usteri, Thomas Vosegaard, Guido Pintacuda, Anne Lesage, Andrew J. Pell, Sharon Mitchell, Javier Pérez-Ramírez, Christophe Copéret

Version 1 posted 24 July 2024

309

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