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Computational Chemistry (T & P)

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  3. Post Graduate Programme
  4. M.Sc Chemistry
  5. PG_CHEM_Semester_2
  6. PG_CHEM_S2_CC
  7. Topic 8 Computational Chemistry Calculations
  8. Generate Z matrix of molecules

Generate Z matrix of molecules

http://symmetry.jacobs-university.de/zmatrix.html

Click http://symmetry.jacobs-university.de/zmatrix.html link to open resource.
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    • Syllabus and Course outcome
    • Topic 1- Instructions to students
    • Topic - 2 Introduction to computational chemistry
    • Topic 3 Potential Energy Surface
    • Topic 4- Abinitio Methods
    • Topic 5 Basis Sets
    • Topic 6 Post Hartree Fock Methods
    • Topic 7 Density Functional Theory
    • Topic 8 Computational Chemistry Calculations
    • Semi empirical Methods and Molecular Mechanics
    • Topic 9- Computational Chemistry Practicals
    • Discussion and Feedback
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St. Stephen’s College, Uzhavoor, Kottayam – 686634

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  • +91 9447 433 321, 0482 - 2240127
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