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Catalysis

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thermochemical kinetics

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2 results in Keywords: thermochemical kinetics

Theoretical and Computational Chemistry

Do Double Hybrid Functionals Benefit from Regularization in the PT2 term? Observations from an Extensive Benchmark

Golokesh Santra, Jan M.L. Martin

Version 1 posted 11 March 2022

236

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Thermally Activated Tunneling in the Two-Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds

Ashim Nandi, Gershom Martin

Version 1 posted 14 June 2022

128

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