Elucidation of Reaction Mechanisms, PhD

Faculty of Science, Czech Republic (the)

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The award	How you will study	Study duration	Course start	Domestic course fees	International course fees
PhD	Full-time	find out	find out	find out	find out

About Elucidation of Reaction Mechanisms, PhD - at Faculty of Science

Project summary

The necessary transfer to sustainable society requires minimization of negative impact of chemical industry to environment by searching for new chemical reactions and catalysts. Theoretical methods based on quantum chemistry and statistical thermodynamics due to tremendous advances both of computer hardware and computational methods are becoming an important partner for experiments and frequently are faster, cheaper, not limited by extreme conditions of reactions or toxicity of compounds, although their accuracy is frequently lower. One of the main advantage is direct study of reaction mechanisms that is experimentally very difficult. In this project we will study theoretically mechanisms of reactions starting from the simplest homogeneous reactions without metals, then reactions with metals, heterogeneous reactions on zeolites, on MOFs (metal-organic frameworks), COFs (covalent-organic frameworks) up to possibly reactions catalyzed by enzymes using QM/MM (quantum mechanics/molecular mechanics) approaches.

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Entry requirements

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Fees, Funding and Scholarships at Faculty of Science

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Students may obtain the following scholarships:

accommodation bursary;
bursary for a student in difficult social circumstances;
scholarship for outstanding academic achievement (“mark-based”);
bursary in a case worthy of special consideration;
bursary to support study abroad;
bursary for a CU student in an acutely difficult situation;
bursary to support study in the Czech Republic;
bursary for excellent research, development, innovation, artistic, or other creative achievements contributing to enhanced knowledge;
scholarship for RDI (research, development, and innovation) under special legislation;
motivation bursary for 1st year bachelor’s programme students;
motivation bursary for 1st year post-bachelor’s programme students;
sports bursary;
doctoral bursary.

Certain scholarships are granted to students automatically (without student applications), whereas others are granted further to an application (electronic or paper, depending on the type of scholarship). Bursaries are neither taxed nor included in stated income. You can find answers to frequently asked questions regarding scholarships on the Faculty website (natur.cuni.cz/fakulta/studium/helpdesk/faq-stipendia; Czech only).

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