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PFP V4 Validation - MATLANTISmatlantis.com › news › pfp-v4-validation
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· [2] Stefan Grimme, Jens Antony, Stephan Ehrlich, Helge Krieg. “A consistent and accurate ab initio parametrization of density functional ...
AG Wickleder: Dr. Christian Logemann
ac1.uni-koeln.de
Andrey A. Fokin, Tatyana S. Zhuk, Sebastian Blomeyer, Cristóbal Pérez, Lesya V. Chernish, Alexander E. Pashenko, Jens Antony, Yury V. Vishnevskiy, Raphael J. F. Berger, Stefan Grimme, Christian Logemann, Melanie Schnell, Norbert W. Mitzel, and Peter R. Schreiner Intramolecular London Dispersion ...
rsc_cp_b c_auto b c.pdf - Caltech Authorsauthors.library.caltech.edu › records › preview
authors.library.caltech.edu
Stefan Grimme, Christian Mück-Lichtenfeld and Jens Antony,. Phys. Chem. Chem. Phys. , DOI: b c. Tighter multipole-based integral estimates ...
rsc_cp_b c_auto Caltech Authorsauthors.library.caltech.edu › ...
authors.library.caltech.edu
molecules using orbital-partitioned localized MP2. Stefan Grimme, Christian Mück-Lichtenfeld and Jens Antony,. Phys. Chem. Chem. Phys., DOI:
Noncovalent Interactions between Graphene Sheets and in ...pubs.acs.org › doi › pdf
pubs.acs.org
Stefan Grimme,* Christian Mu1ck-Lichtenfeld, and Jens Antony. Theoretische Organische Chemie, Organisch-Chemisches Institut der UniVersität Münster ...
[PDF] arXiv: v1 [cond-mat.mtrl-sci] 6 May 2022arxiv.org › pdf
arxiv.org
· 24 Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge. Krieg, “A consistent and accurate ab initio parametriza-.
A consistent and accurate ab initio parameterization of density ...
netserver.aip.org
Stefan Grimme∗, Jens Antony, Stephan Ehrlich, and Helge Krieg. Theoretische Organische Chemie. Organisch-Chemisches Institut der Universität Münster.
[PDF] Das letzte Alkan mit gestreckter Grundzustandskonformation*publications.goettingen-research-online.de › Suhm_Manuskript_deutsch
publications.goettingen-research-online.de
2008, 47, 6970–6992; Anne Zehnacker and. Martin A. Suhm, Angew. Chem , 120, 7076– [23] Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge ...
DFT-D3
toc.uni-muenster.de
by Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge Krieg J. Chem. Phys. 132, (2010); DOI: Link to the article at JCP
Publications — Organische Chemie - Uni-giessen.dewww.uni-giessen.de › fbz › Inst › agschreiner › publications › fullpapers
www.uni-giessen.de
Pashenko, Jens Antony, Yury V. Vishnevskiy, Raphael J. F. Berger, Stefan Grimme, Christian Logemann, Melanie Schnell, Norbert W. Mitzel and Peter R ...
Most Downloaded - Journal of Chemical Physics
www.cond-mat.physik.uni-mainz.de
Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge Krieg. J. Chem. Phys. 132, (2010); http://dx.doi.org (
Publikationen von Tobias Schwabe - Fachbereich Chemiewww.chemie.uni-hamburg.de › ... › Verzeichnis
www.chemie.uni-hamburg.de
Stefan Grimme, Jens Antony, Tobias Schwabe , Christian Mück-Lichtenfeld Organic & Biomolecular Chemistry 5, (2007). 2, Double-hybrid density ...
Structures and interaction energies of stacked graphene–nucleobase...
pubs.rsc.org
DOI: B B Received ... Jens Antony; Stefan Grimme
Altmetric – HYDROPHOBE Challenge: A Joint Experimental and...
acs.altmetric.com
Khaleel I. Assaf, Mara Florea, Jens Antony, Niel M. Henriksen, Jian Yin, Andreas Hansen, Zheng-Wang Qu, Rebecca Sure, Dieter Klapstein, Michael K. Gilson, Stefan Grimme, Werner M. Nau, Zheng-wang Qu. Abstract. The host-guest complexation of hydrocarbons (22 guest molecules) with cucurbit[7]uril ...
Blind Prediction of Binding Affinities for Charged Supramolecular...
figshare.com
posted on , 17:00 by Rebecca Sure Jens Antony Stefan Grimme. Association free energies ΔGa are calculated for two different types of host–guest ...
DataCite Search
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CCDC : Experimental Crystal Structure Determination. Andrey A. Fokin, Tatyana S. Zhuk, Sebastian Blomeyer, Cristóbal Pérez, Lesya V. Chernish, Alexander E. Pashenko, Jens Antony, Yury V. Vishnevskiy, Raphael J. F. Berger, Stefan Grimme, Christian Logemann, Melanie Schnell, Norbert W. Mitzel & Peter R.
Dispersion descriptor - ᴍᴏʀғᴇᴜskjelljorner.github.io › morfeus › dispersion
kjelljorner.github.io
Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge Krieg. A consistent and accurate ab initio parametrization of density functional dispersion ...
FELIX research on astrochemical molecules on cover PCCPwww.ru.nl › felix › research-highlights › highlights
www.ru.nl
Steber, Jens Antony , Stefan Grimme , Melanie Schnell and Anouk M. Rijs, Far-IR and UV spectral signatures of controlled complexation and microhydration of ...
Fully ab initio protein-ligand interaction energies with dispersion ...ouci.dntb.gov.ua › works
ouci.dntb.gov.ua
Authors: Jens Antony, Stefan Grimme. List of references. Yuriev, J. Mol. Recognit., № 24, с https://doi.org jmr.1077; Sherrill, J. Chem. Phys ...
Intramolecular London Dispersion Interaction Effects on Gas-Phase ...www.x-mol.com › paper
www.x-mol.com
Pashenko 1 , Jens Antony 5 , Yury V. Vishnevskiy 3 , Raphael J. F. Berger 6 , Stefan Grimme 5 , Christian Logemann 7 , Melanie Schnell 4 , Norbert W. Mitzel ...
Far-IR and UV spectral signatures of controlled complexation ...xlink.rsc.org › ...
pubs.rsc.org
Alexander K. Lemmens,ab Sébastien Gruet,cde Amanda L. Steber,*cdeJens Antony,f Stefan Grimme,f Melanie Schnellcde and Anouk M. Rijs*a.
OUCIouci.dntb.gov.ua › works
ouci.dntb.gov.ua
Publisher: Royal Society of Chemistry (RSC). Authors: Jens Antony, Rebecca Sure, Stefan Grimme. Funder Deutsche Forschungsgemeinschaft ...
Intramolecular London Dispersion Interaction Figsharefigshare.com › articles › Intramolecular_London_Dispe...
figshare.com
Jens Antony, ... V. Chernish Alexander E. Pashenko Jens Antony Yury V. Vishnevskiy Raphael J. F. Berger Stefan Grimme Christian Logemann ...
Far-IR and UV spectral signatures of controlled complexation and...
medworm.com
... DOI: C8CP04480E, PaperAlexander Lemmens, Sebastien Gruet, Amanda L Steber, Jens Antony, Stefan Grimme, Melanie Schnell, ...
Far-IR and UV spectral signatures of controlled complexation and...
pubs.rsc.org
Alexander K. Lemmens,ab Sébastien Gruet,cde Amanda L. Steber, ORCID logo *cdeJens Antony,f Stefan Grimme, ORCID logo f Melanie Schnell · ORCID logo ...
com…tional chemistry - How DFT-D3 incorporates coordination number...
chemistry.stackexchange.com
(Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge Krieg. J. Chem. Phys , 132 (15), ) According to Fig. 5 in the paper, ...
meta-Selective C−H Activation in Arenes - Patent Lenswww.lens.org › scholar › article › citations › articles
www.lens.org
Journal Article · The Journal of chemical physics, Issue: 15, Volume: 132, Pages: · Stefan Grimme, Jens Antony, Stephan Ehrlich, Helge Krieg ...
Fixing a Failure of Density Functional Theory - ChemistryViewswww.chemistryviews.org › details › ezine › Fixing_...
www.chemistryviews.org
· Stefan Grimme, Jens Antony, Stephan Ehrlich, Helge Krieg, J. Chem. Phys , 132, https://doi.org ; [3] Spin ...
How DFT-D3 incorporates coordination number (CN) into C6chemistry.stackexchange.com › questions › how-dft...
chemistry.stackexchange.com
· (Stefan Grimme, Jens Antony, Stephan Ehrlich, and Helge Krieg. J. Chem. Phys , 132 (15), ) According to Fig. 5 in the paper, it ...
[CP2K-user] [CP2K:14282] DFT-D3lists.cp2k.org › archives › November
lists.cp2k.org
· ... between the data in the dftd3.dat file and the > equation in the paper Stefan Grimme, Jens Antony, Stephan Ehrlich, and > Helge KriegJ.
The furan microsolvation blind challenge for quantum chemical...
hull-repository.worktribe.com
Hannes C. Gottschalk. Anja Poblotzki. Martin A. Suhm. Muneerah M. Al-Mogren. Jens Antony. Alexander A. Auer. Leonardo Baptista. Dr David Benoit D.Benoit@ hull.ac.uk. Giovanni Bistoni. Fabian Bohle. Rahma Dahmani. Dzmitry Firaha. Stefan Grimme. Andreas Hansen. Michael E. Harding. Majdi Hochlaf.
[PDF] Structures and interaction energies of stacked graphene ...www.semanticscholar.org › paper › Structures-and-i...
www.semanticscholar.org
· author={Jens Antony and Stefan Grimme}, journal={Physical chemistry chemical physics : PCCP}, year={2008}, volume={10 19}, pages={ } ...
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