1st International Workshop on Applications of Computational Chemistry using Gaussian Software [CCG]

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• Daily 1.5 Hr session for 5 Days.
• Recordings will be shared after every Live session.

We are glad to announce Online Training/Workshop on Computational Chemistry using Gaussian Software (CCG). Gaussian is most widely used software in the discipline of computational chemistry. The above workshop is planned to highly encourage Professors, Research Scholar and College students to work in the above discipline. Please see the detailed list of topics and register accordingly.

3 sessions will be taken by Eminent Speakers with expertise in computational chemistry.

The detailed List of Properties to be covered in (CCG) workshop are:

1. Introduction to Computational Chemistry: Quantum Chemical Calculation and Molecular Mechanical Calculation, Density Functional Theory, Molecular size vs. accuracy vs. Time factor, Basis Sets and Functionals. Molecular Structure Building, Pre-optimization, Geometry Optimization, Predict stability, Dipole moment, Solubility
2. Frequency (IR Spectrum), Vibrational frequencies, Visualization of Vibrational Modes: Stretching vs. Bending, Raman Spectrum Calculation, Excited states and UV spectra, allowed vs forbidden transitions, Hardness, softness, chemical potential, electronegativity and electron affinity
3. Molecular orbital analysis HOMO vs. LUMO, Solvent effect: Implicit model vs. explicit mode, , Orbital Contribution, NMR Spectrum Calculation, solvent stabilization energy
4. Fluorescence and Phosphorescence property Simulation, Excited States (Singlet and Triplet) Calculation: Jablonski Diagram
5. Single-Point Energy, Potential Energy Diagrams, Interaction Energies, Reaction mechanisms, Electron and Hole Density Distribution Maps: Charge Transfer: LMCT or MLCT

Salient Features:

• Eligibility: Candidate must have knowledge of chemistry (not less than under-graduation level)
• Workshop will be taken via online mode: Platform-Zoom
• Registered candidates can submit a short report (template will be provide) for further screening
• E-certificates will be provided to all registered participants
• Training will be provided on Windows Operating system
• Programming and coding knowledge is not required for above workshop.
• Lecture Mode: English