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  2. Solvent Effects on Chemistry with Alcohols. An Ab Initio Study

Solvent Effects on Chemistry with Alcohols. An Ab Initio Study

Open Access
Authors
  • T.S. van Erp
Supervisors
  • B. Smit
Cosupervisors
  • E.J. Meijer
Award date 25-04-2003
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Document type PhD thesis
Language English
Downloads
Thesis
Cover
Titlepage
Preface
Contents
Chapter 1 Introduction
Chapter 2 Hydration of Methanol in Water
Chapter 3 Ab Initio Molecular Dynamics Study of Aqueous Solvation of Ethanol and Ethylene¹
Chapter 4 Hydration/Dehydration Reaction between Ethanol and Ethene¹
Chapter 5 Transition Interface Sampling
Chapter 6 Non-Catalyzed Hydration of Ethylene
Bibliography
Samenvatting
Publications
Curriculum Vitae
Cover
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