Computational Chemistry Assignment Help

Computational Chemistry is used to describe the computational techniques aimed at understanding the structure and properties of molecules and materials. Computational Chemistry has become a useful way to investigate materials that are too difficult to find or too expensive to purchase.

AnswersPortals is here to help the students complete their assignments in Computational Chemistry. Students seeking any type of help in Computational Chemistry homeworks and projects can use our services which are available 24x7. Following are the extensive list of topics in Computational Chemistry in which we provide Help with Homework and Help with Project:

  • Computational transition-metal and organometallic chemistry, homogeneous catalysis
  • Electron and charge distributions
  • Electronic structure determinations
  • Enzymatic reaction mechanisms
  • First-principles and QM/MM molecular dynamics
  • Frequency calculations
  • Geometry optimizations
  • Molecular docking and binding free energy era
  • Molecular dynamics and mutational studies
  • Molecular dynamics of bilayer systems e.g. lipid bilayers
  • Potential energy surfaces (PES)
  • Protein calculations, i.e. docking
  • Protein folding
  • QM/MM and FEP era
  • Rate constants for chemical reactions (kinetics)
  • Sampling techniques and free-energy calculations
  • Thermodynamic calculations- heat of reactions, energy of activation
  • Transition structures

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