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6 results in Authors: Alexander Walter

Theoretical and Computational Chemistry

HEPOM: Using Graph Neural Networks for the accelerated predictions of Hydrolysis Free Energies in different pH conditions.

Rishabh D. Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, Alexander Rizzolo Epstein, Maxwell Venetos, Ryan Kingsbury, Mingjian Wen, Samuel Blau, Kristin A. Persson

Version 1 posted 28 November 2024

163

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Separation of core-shell quantum dots from shelling-precursor-byproducts using a multiple-step selective agglomeration process: A case study on InP/ZnS core-shell dots synthesized in a tubular flow reactor

Azita Rezvani, Zhuang Wang, K. David Wegner, Hadi Soltan Moradi, Alexander Kichigin, Xin Zhou, Tobias Gantenberg, Jürgen Schram, Benjamin Apeleo Zubiri, Erdmann Spiecker, Johannes Walter, Ute Resch-Genger, Doris Segets

Version 1 posted 30 December 2024

46

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Physical Chemistry

Combined UV-Vis-absorbance and Reflectance Spectroscopy Study of Dye Transfer Kinetics in Aqueous Mixtures of Surfactants

Carlos G. Lopez, Anna Manova, Corinna Hoppe, Michael Dreja, Peter Schmiedel, Mareile Job, Walter Richtering, Alexander Böker, Larisa Tsarkova

Version 1 posted 06 November 2017

750

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Theoretical and Computational Chemistry

Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics

Alexander R. Epstein, Evan Walter Clark Spotte-Smith, Maxwell C. Venetos, Oxana Andriuc, Kristin A. Persson

Version 1 posted 10 February 2023

342

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1

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Polymer Science

Microscale manipulation of bond exchange reactions in photocurable vitrimers with covalently attachable photoacid generators

Roman Korotkov, Walter Alabiso, Alexander Jelinek, Max Schmallegger, Yang Li, Sandra Schlögl, Elisabeth Rossegger

Version 1 posted 28 May 2024

272

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Biological and Medicinal Chemistry

Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization

David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, Hayley Binch, Markus Bürkler, Achi Haider, Dominik Heer, Remo Hochstrasser, Christian Kramer, Michael Reutlinger, Petra Schneider, Thierry Shem, Andreas Topp, Alexander Walter, Matthias B. Wittwer, Jens Wolfard, Bernd Kuhn, Mario van der Stelt, Rainer E. Martin, Uwe Grether, Gisbert Schneider

Version 1 posted 23 January 2025

0

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