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Sea ice generation code for 'Storylines of the 2018 Northern Hemisphere heat wave at pre-industrial and higher global warming levels'
(2020)This code for python accompanies the publication 'Storylines of the 2018 Northern Hemisphere heat wave at pre-industrial and higher global warming levels' in Earth System Dynamics. It contains the sea ice generation method developed for the publication and described in its section 2.5.Other Research Data -
A protocol for simulating and evaluating tree regeneration using a diverse range of forest dynamic models
(2023)This document describes the protocol for the regeneration workshop in Davos (Switzerland), 19-23 June 2022. This protocol contains general information on the input, simulation setup and expected output variables. The exercise focuses on the simulation and assessment of the regeneration niche as it arises from empirical data analysis vs. its representation in a wide range of models of forest dynamics. The main objectives are therefore (1) ...Other Research Data -
Supporting Information for the Journal Article "Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning"
(2023)This data set contains all data produced when exploring the Williamson ether synthesis starting from iodoethane and phenol. The set is structures as follows: analysis: Contains the script used to analyze the exploration and the output of said script check_barrier: Contains the output of the manual calculations done to check the barrier of the reaction exploration: Contains the scripts used to initialize and carry out the exploration as ...Other Research Data -
Supporting Information for the Journal Article "Quantum computing enhanced computational catalysis"
(2024)This document contains the supporting information published together with the article "Quantum computing enhanced computational catalysis" (Phys. Rev. Research, 2021, 3, 033055).Other Research Data -
Supporting Information for the Journal Article "Solvation Free Energies in Subsystem Density Functional Theory"
(2024)This document contains the supporting information published together with the article "Solvation Free Energies in Subsystem Density Functional Theory" (J. Chem. Theory Comput., 2022, 18, 723).Other Research Data -
Supporting Information for the Journal Article "The transferability limits of static benchmarks"
(2024)This document contains the supporting information published together with the article "The transferability limits of static benchmarks" (Phys. Chem. Chem. Phys., 2022, 24, 14692).Other Research Data -
Supporting Information for the Journal Article "Chemoton 2.0: Autonomous Exploration of Chemical Reaction Networks"
(2024)This document contains the supporting information published together with the article "Chemoton 2.0: Autonomous Exploration of Chemical Reaction Networks" (J. Chem. Theory Comput., 2022, 18, 5393).Other Research Data -
Supporting Information for Journal Article "Gaussian Process-Based Refinement of Dispersion Corrections"
(2024)This document contains the supporting information published together with the journal article "Gaussian Process-Based Refinement of Dispersion Corrections" (J. Chem. Theory Comput., 2019, 15, 6046).Other Research Data -
Supporting Information for Journal Article "Tailored coupled cluster theory in varying correlation regimes"
(2024)This document contains the supporting information published together with the journal article "Tailored coupled cluster theory in varying correlation regimes" (J. Chem. Phys., 2020, 153, 244113).Other Research Data