Tutorial 06 | Gaussian PES Scans – Rigid Scan | Dr M A Hashmi

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PES Fitting MSAPES Fitting MSA
qst2 inputqst2 input
comp chem relative stability excomp chem relative stability ex
potential energy surface gaussianpotential energy surface gaussian
Relaxed Scans of the PES with Gaussian 16Relaxed Scans of the PES with Gaussian 16