Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Jan Gerit Brandenburg

Showing results (1-10 of 44) with videos related to

Pageof 5
Sort By:
Topics in Current Chemistry|November 14, 2013
Dispersion corrected hartree-fock and density functional theory for organic crystal structure predictionJan Gerit Brandenburg, Stefan Grimme
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 11, 2018
Simplified DFT methods for consistent structures and energies of large systemsEike Caldeweyher, Jan Gerit Brandenburg
The Journal of Physical Chemistry Letters|August 15, 2015
Accurate Modeling of Organic Molecular Crystals by Dispersion-Corrected Density Functional Tight Binding (DFTB)Jan Gerit Brandenburg, Stefan Grimme
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methodsJan Gerit Brandenburg, Stefan Grimme
The Journal of Chemical Physics|April 3, 2015
Benchmarking DFT and semiempirical methods on structures and lattice energies for ten ice polymorphsJan Gerit Brandenburg, Tilo Maas, Stefan Grimme
Chemistryopen|June 17, 2016
Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error SourcesRebecca Sure, Jan Gerit Brandenburg, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP|June 1, 2016
Screened exchange hybrid density functional for accurate and efficient structures and interaction energiesJan Gerit Brandenburg, Eike Caldeweyher, Stefan Grimme
The Journal of Chemical Physics|March 9, 2022
Metal-organic frameworks properties from hybrid density functional approximationsLorenzo Donà, Jan Gerit Brandenburg, Bartolomeo Civalleri
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 26, 2017
On the hydrogen activation by frustrated Lewis pairs in the solid state: benchmark studies and theoretical insightsLei Liu, Jan Gerit Brandenburg, Stefan Grimme
The Journal of Chemical Physics|October 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function biasAndrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, et al.
Pageof 5

Showing results (1-10 of 44) with videos related to

Sort By:
Pageof 5
Topics in Current Chemistry|November 14, 2013
Dispersion corrected hartree-fock and density functional theory for organic crystal structure predictionJan Gerit Brandenburg, Stefan Grimme
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 11, 2018
Simplified DFT methods for consistent structures and energies of large systemsEike Caldeweyher, Jan Gerit Brandenburg
The Journal of Physical Chemistry Letters|August 15, 2015
Accurate Modeling of Organic Molecular Crystals by Dispersion-Corrected Density Functional Tight Binding (DFTB)Jan Gerit Brandenburg, Stefan Grimme
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methodsJan Gerit Brandenburg, Stefan Grimme
The Journal of Chemical Physics|April 3, 2015
Benchmarking DFT and semiempirical methods on structures and lattice energies for ten ice polymorphsJan Gerit Brandenburg, Tilo Maas, Stefan Grimme
Chemistryopen|June 17, 2016
Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error SourcesRebecca Sure, Jan Gerit Brandenburg, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP|June 1, 2016
Screened exchange hybrid density functional for accurate and efficient structures and interaction energiesJan Gerit Brandenburg, Eike Caldeweyher, Stefan Grimme
The Journal of Chemical Physics|March 9, 2022
Metal-organic frameworks properties from hybrid density functional approximationsLorenzo Donà, Jan Gerit Brandenburg, Bartolomeo Civalleri
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 26, 2017
On the hydrogen activation by frustrated Lewis pairs in the solid state: benchmark studies and theoretical insightsLei Liu, Jan Gerit Brandenburg, Stefan Grimme
The Journal of Chemical Physics|October 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function biasAndrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, et al.
Pageof 5