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vpt2_tutorial

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Tutorial describing the use of external potential energy surfaces (PhysNet) in Gaussian for the calculation of VPT2 Frequencies

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Name		Name	Last commit message	Last commit date
ab_initio		ab_initio
normal_mode_sampling		normal_mode_sampling
physnet_training		physnet_training
tests/formic_acid		tests/formic_acid
vpt2_hcooh		vpt2_hcooh
README.md		README.md
VPT2_Tutorial.pdf		VPT2_Tutorial.pdf

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VPT2_tutorial

Tutorial describing the use of external potential energy surfaces (PhysNet) in Gaussian for the calculation of VPT2 Frequencies

About

Tutorial describing the use of external potential energy surfaces (PhysNet) in Gaussian for the calculation of VPT2 Frequencies

0 stars

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