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Computational Chemistry 1

General Informations
This seminar is intended for students (incl. PhD students) who want to apply theoretical and computational methods in their scientific work and wish to broaden their knowledge of existing methodology. Successfully passed quantum chemistry I exams (or similar qualifications) are required. This seminar can be chosen in combination with quantum chemistry I + II (R. de Vivie-Riedle, Artur Nenov, Philipp von den Hoff) as an area of specialization in either

  • the Diplomstudiengang Chemie (Wahlfach Theoretische Chemie)
  • the Bachelor-Studiengang Chemie und Biochemie as Wahlfach
  • the Master-Studiengang Chemie as Nebenfach

Please notice that the last two choices are mutually exclusive.

General Information (Regina de Vivie-Riedle)
Table of Contents
Quantenchemie WiKi
Homework


Information on Gaussian 03
Information on Tinker and FFE
constants and conversion factors
Literature


Computational Chemistry Links