Dirk Bakowies

4PUBLICATIONS
0CO-AUTHORS
Radiation and matterTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (4)

|Jun 06, 2022
ATOMIC-2 Protocol for Thermochemistry.

Dirk Bakowies

|Jul 14, 2021
Density Functional Geometries and Zero-Point Energies in Ab Initio Thermochemical Treatments of Compounds with First-Row Atoms (H, C, N, O, F).

Dirk Bakowies, O Anatole von Lilienfeld

|Nov 15, 2019
Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry: II. ATOMIC(hc) Enthalpies of Formation for a Large Set of Hydrocarbons.

Dirk Bakowies

|Aug 09, 2019
Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry. I. Atomization Energies of Hydrocarbons in the ATOMIC(hc) Protocol.

Dirk Bakowies

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