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  • 1-10 ل  11 نتائج ل ""Transition state theory""
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Academic Journal

H migration in peroxy radicals under atmospheric conditions

Subjects: info:eu-repo/classification/ddc/550DE

  • Source: Atmospheric chemistry and physics 20(12), 7429 - 7458 (2020). doi:10.5194/acp-20-7429-2020

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Dissertation/ Thesis

Computer-aided design of molecules and reactive chemical processes based on quantum chemistry

Subjects: info:eu-repo/classification/ddc/620; Hochschulschrift; CAMDDE

  • Source: Aachen : Wissenschaftsverlag Mainz GmbH, Aachener Beiträge zur technischen Thermodynamik 49, 1 Online-Ressource : Illustrationen (2023). doi:10.18154/RWTH-2024-06057 = Dissertation, RWTH Aachen

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Dissertation/ Thesis

Novel acceleration methods and improved transition state finding approaches for the automatic exploration of reaction networks

Subjects: info:eu-repo/classification/ddc/620; ChemTraYzer; ReaxFFDE

  • Source: Aachen : Wissenschaftsverlag Mainz GmbH, Aachener Beiträge zur technischen Thermodynamik 40, 1 Online-Ressource : Illustrationen, Diagramme (2023). doi:10.18154/RWTH-2023-02213 = Dissertation, RWTH

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Dissertation/ Thesis

Advanced methods for atomic scale spin simulations and application to localized magnetic states

Subjects: info:eu-repo/classification/ddc/530; magnetism; spin dynamicsDE

  • Source: Aachen ; Reykjavik xx, 194 Seiten : Illustrationen (2019). doi:10.18154/RWTH-2019-08828 = Dissertation, RWTH Aachen University, 2019. - Dissertation, University of Iceland, 2019

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  • 1-10 ل  11 نتائج ل ""Transition state theory""