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Instanton Rate Constant Calculations Using Interpolated Potential Energy Surfaces in Nonredundant, Rotationally and Translationally Invariant Coordinates

, and . Journal of Computational Chemistry, 40 (7): 866-874 (2019)
DOI: 10.1002/jcc.25770

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Shravan Ravishankar Kousik University of Stuttgart

Replication Data for: A Complementary Experimental and Theoretical Approach for Probing the Surface Functionalization of ZnO with Molecular Catalyst Linkers. Dataset, (2024)Related to: Shravan R. Kousik, Helena Solodenko, Azade YazdanYar, Manuel Kirchhof, Peter Schützendübe, Gunther Richter, Sabine Laschat, Maria Fyta, Guido Schmitz, Joachim Bill, Petia Atanasova, A Complementary Experimental and Theoretical Approach for Probing the Surface Functionalization of ZnO with Molecular Catalyst Linkers, Advanced Materials Interfaces, 2023, 10 (26), 2300399. doi: 10.1002/admi.202300399.
 

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