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Dirk Bakowies

Showing results (1-10 of 18) with videos related to

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Journal of Chemical Theory and Computation|November 15, 2019
Estimating Systematic Error and Uncertainty in <i>Ab Initio</i> Thermochemistry: II. ATOMIC(hc) Enthalpies of Formation for a Large Set of HydrocarbonsDirk Bakowies
The Journal of Chemical Physics|November 6, 2007
Accurate extrapolation of electron correlation energies from small basis setsDirk Bakowies
The Journal of Chemical Physics|September 4, 2007
Extrapolation of electron correlation energies to finite and complete basis set targetsDirk Bakowies
The Journal of Chemical Physics|April 17, 2009
Ab initio thermochemistry using optimal-balance models with isodesmic corrections: the ATOMIC protocolDirk Bakowies
The Journal of Physical Chemistry. A|December 11, 2012
Assessment of density functional theory for thermochemical approaches based on bond separation reactionsDirk Bakowies
Journal of Chemical Theory and Computation|August 9, 2019
Estimating Systematic Error and Uncertainty in <i>Ab Initio</i> Thermochemistry. I. Atomization Energies of Hydrocarbons in the ATOMIC(hc) ProtocolDirk Bakowies
Journal of Chemical Theory and Computation|June 6, 2022
ATOMIC-2 Protocol for ThermochemistryDirk Bakowies
The Journal of Physical Chemistry. A|October 24, 2009
Ab initio thermochemistry with high-level isodesmic corrections: validation of the ATOMIC protocol for a large set of compounds with first-row atoms (H, C, N, O, F)Dirk Bakowies
The Journal of Physical Chemistry. A|November 27, 2014
Simplified wave function models in thermochemical protocols based on bond separation reactionsDirk Bakowies
Journal of Chemical Theory and Computation|July 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
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|November 15, 2019
Estimating Systematic Error and Uncertainty in <i>Ab Initio</i> Thermochemistry: II. ATOMIC(hc) Enthalpies of Formation for a Large Set of HydrocarbonsDirk Bakowies
The Journal of Chemical Physics|November 6, 2007
Accurate extrapolation of electron correlation energies from small basis setsDirk Bakowies
The Journal of Chemical Physics|September 4, 2007
Extrapolation of electron correlation energies to finite and complete basis set targetsDirk Bakowies
The Journal of Chemical Physics|April 17, 2009
Ab initio thermochemistry using optimal-balance models with isodesmic corrections: the ATOMIC protocolDirk Bakowies
The Journal of Physical Chemistry. A|December 11, 2012
Assessment of density functional theory for thermochemical approaches based on bond separation reactionsDirk Bakowies
Journal of Chemical Theory and Computation|August 9, 2019
Estimating Systematic Error and Uncertainty in <i>Ab Initio</i> Thermochemistry. I. Atomization Energies of Hydrocarbons in the ATOMIC(hc) ProtocolDirk Bakowies
Journal of Chemical Theory and Computation|June 6, 2022
ATOMIC-2 Protocol for ThermochemistryDirk Bakowies
The Journal of Physical Chemistry. A|October 24, 2009
Ab initio thermochemistry with high-level isodesmic corrections: validation of the ATOMIC protocol for a large set of compounds with first-row atoms (H, C, N, O, F)Dirk Bakowies
The Journal of Physical Chemistry. A|November 27, 2014
Simplified wave function models in thermochemical protocols based on bond separation reactionsDirk Bakowies
Journal of Chemical Theory and Computation|July 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
Pageof 2