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Mario Barbatti (9665075)
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Toluene PBE0 dataset (1000 points)
by
Max Pinheiro (101225)
,
Fuchun Ge (6550595)
,
Nicolas FerreĢ (1299951)
,
Pavlo O. Dral (6981281)
,
Mario
Barbatti
(
9665075
)
Published 2021
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Related Subjects
Computational Chemistry
Density Functional Theory calculations
Potential energy surface scan
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