I will do density functional theory, dft calculation

My Gig Comprises -

o   Optimization of molecules in gaseous state

o   Optimization of molecules in explicit solvents, such as water, DMSO, chloroform, tetrahydrofuran etc.

o   Optimization of molecules in excited state (charge will be 2.5 times)

o   Calculation of UV-vis spectrum of molecule in gaseous state

o   Calculation of UV-vis spectrum of molecule in solvent

o   Calculation of emission spectrum of molecule (charge will be 5 times)

o   All calculation will be done using Gaussian Software

o   Molecular fragmentation and all transitions will be assigned (additional charge may require)

o   Results will be discussed (250 words), additional words may charge

o   Optimization of molecule around 20 atoms

o   For extra 20 atoms charge will be multiplied by 2