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Grimme, Stefan, Hansen, Andreas, Brandenburg, Jan Gerit, Bannwarth, Christoph (2016) Dispersion-Corrected Mean-Field Electronic Structure Methods. Chemical Reviews, 116 (9) 5105-5154 doi:10.1021/acs.chemrev.5b00533

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Reference TypeJournal (article/letter/editorial)
TitleDispersion-Corrected Mean-Field Electronic Structure Methods
JournalChemical Reviews
AuthorsGrimme, StefanAuthor
Hansen, AndreasAuthor
Brandenburg, Jan GeritAuthor
Bannwarth, ChristophAuthor
Year2016 (May 11)Volume116
Issue9
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.chemrev.5b00533Search in ResearchGate
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Mindat Ref. ID17253233Long-form Identifiermindat:1:5:17253233:4
GUID0
Full ReferenceGrimme, Stefan, Hansen, Andreas, Brandenburg, Jan Gerit, Bannwarth, Christoph (2016) Dispersion-Corrected Mean-Field Electronic Structure Methods. Chemical Reviews, 116 (9) 5105-5154 doi:10.1021/acs.chemrev.5b00533
Plain TextGrimme, Stefan, Hansen, Andreas, Brandenburg, Jan Gerit, Bannwarth, Christoph (2016) Dispersion-Corrected Mean-Field Electronic Structure Methods. Chemical Reviews, 116 (9) 5105-5154 doi:10.1021/acs.chemrev.5b00533
In(2016, May) Chemical Reviews Vol. 116 (9) American Chemical Society (ACS)

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Brandenburg, Jan Gerit, Grimme, Stefan (2016) Organic crystal polymorphism: a benchmark for dispersion corrected mean field electronic structure methods. Acta Crystallographica Section A Foundations and Advances, 72. doi:10.1107/s2053273316098296
Brandenburg, Jan Gerit, Grimme, Stefan (2016) Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methods. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 72 (4). 502-513 doi:10.1107/s2052520616007885
Brandenburg, Jan Gerit, Bannwarth, Christoph, Hansen, Andreas, Grimme, Stefan (2018) B97-3c: A revised low-cost variant of the B97-D density functional method. The Journal of Chemical Physics, 148 (6). 64104pp. doi:10.1063/1.5012601
Grimme, Stefan, Brandenburg, Jan Gerit, Bannwarth, Christoph, Hansen, Andreas (2015) Consistent structures and interactions by density functional theory with small atomic orbital basis sets. The Journal of Chemical Physics, 143 (5). 54107pp. doi:10.1063/1.4927476
Brandenburg, Jan Gerit, Grimme, Stefan (2014) Accurate Modeling of Organic Molecular Crystals by Dispersion-Corrected Density Functional Tight Binding (DFTB). The Journal of Physical Chemistry Letters, 5 (11). 1785-1789 doi:10.1021/jz500755u
Caldeweyher, Eike, Ehlert, Sebastian, Hansen, Andreas, Neugebauer, Hagen, Spicher, Sebastian, Bannwarth, Christoph, Grimme, Stefan (2019) A generally applicable atomic-charge dependent London dispersion correction. The Journal of Chemical Physics, 150 (15). 154122pp. doi:10.1063/1.5090222
Brandenburg, Jan Gerit, Hochheim, Manuel, Bredow, Thomas, Grimme, Stefan (2014) Low-Cost Quantum Chemical Methods for Noncovalent Interactions. The Journal of Physical Chemistry Letters, 5 (24). 4275-4284 doi:10.1021/jz5021313
Grimme, Stefan, Bannwarth, Christoph, Caldeweyher, Eike, Pisarek, Jana, Hansen, Andreas (2017) A general intermolecular force field based on tight-binding quantum chemical calculations. The Journal of Chemical Physics, 147 (16). 161708pp. doi:10.1063/1.4991798
Brandenburg, Jan Gerit, Bender, Georg, Ren, Jinjun, Hansen, Andreas, Grimme, Stefan, Eckert, Hellmut, Daniliuc, Constantin G., Kehr, Gerald, Erker, Gerhard (2014) Crystal Packing Induced Carbon–Carbon Double–Triple Bond Isomerization in a Zirconocene Complex. Organometallics, 33. 5358-5364 doi:10.1021/om500678p
Stauch, Tim, Dreuw, Andreas (2016) Advances in Quantum Mechanochemistry: Electronic Structure Methods and Force Analysis. Chemical Reviews, 116 (22) 14137-14180 doi:10.1021/acs.chemrev.6b00458
Brandenburg, Jan Gerit, Maas, Tilo, Grimme, Stefan (2015) Benchmarking DFT and semiempirical methods on structures and lattice energies for ten ice polymorphs. The Journal of Chemical Physics, 142 (12). 124104pp. doi:10.1063/1.4916070
 
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