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5 results in Authors: Jürg Hutter

Theoretical and Computational Chemistry

“Quantum-Chemoinformatics” for Design and Discovery of New Molecules and Reactions

Hiroko Satoh, Vincenz-Maria Steiner, Jürg Hutter

Version 1 posted 08 March 2024

262

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Theoretical and Computational Chemistry

Time-Dependent Density Functional Theory Excited-State Forces with the Gaussian and Augmented Plane Wave Method

Beliz Sertcan, Jürg Hutter, Anna-Sophia Hehn

Version 1 posted 01 April 2024

289

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Theoretical and Computational Chemistry

Excited-state properties for extended systems: Efficient hybrid density functional methods.

Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, Sergey K. Chulkov, Matthew B. Watkins, Jürg Hutter

Version 1 posted 14 February 2022

990

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Theoretical and Computational Chemistry

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob’s Ladder

Timothy Duignan, Gregory K. Schenter, John Fulton, Thomas huthwelker, mahalingam balasubramanian, Mirza Galib, Marcel D. Baer, Jan Wilhelm, Jürg Hutter, Mauro Del Ben, Xiu Song Zhao, Christopher J. Mundy

Version 2 posted 08 November 2019

1,850

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1

Citations

Materials Chemistry

Experimental and Theoretical Insights on Gas Trapping in MOFs: A Case Study with Noble Gases and MFU-4 Type MOFs

Hana Bunzen, Beliz Sertcan Gökmen, Andreas Kalytta-Mewes, Maciej Grzywa, Jakub Wojciechowski, Jürg Hutter, Anna-Sophia Hehn, Dirk Volkmer

Version 1 posted 24 September 2024

80

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