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PyContact: Rapid, Customizable, and Visual Analysis of ...University of Illinois Urbana-Champaign
experts.illinois.edu
von M Scheurer · · Zitiert von: 71 — PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations. Maximilian Scheurer, Peter Rodenkirch, Marc ...
Recent developments in the PySCF program packageKing's College London
kclpure.kcl.ac.uk
von Q Sun · · Zitiert von: 379 — ... Enrico Ronca, Elvira R. Sayfutyarova, Maximilian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi Ning Sun, Shiv Upadhyay, ...
Recent developments in the PySCF program packageCaltech
authors.library.caltech.edu
von Q Sun · · Zitiert von: 398 — Maximilian Scheurer,31. Henry F. Schurkus,2. James E. T. Smith,25. Chong Sun,2. Shi-Ning Sun,12 Shiv Upadhyay,32. Lucas K. Wagner,33. Xiao Wang,34.
Contrasting photosolvolytic reactivities of 9-fluorenol vs ACS Publications
pubs.acs.org
von P Wan · · Zitiert von: 89 — Chemical Society Reviews 2022, 51 (1) , https://doi.org D1CS00742D; Volker Hermanns, Maximilian Scheurer, Nils Frederik ...
Complex Excited State Polarizabilities in the ADC/ISR ...Amazon AWS
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von M Scheurer · Zitiert von: 7 — Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R. Rehn. Submitted date: • Posted date:
The Structural Effects of Unsaturation and Hyperconjugation in ...ACS Publications
pubs.acs.org
von EC Hurdis · · Zitiert von: 62 — RSC Advances 2021, 11 (2) , https://doi.org D0RA10182F; Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R. Rehn.
Efficient quantum analytic nuclear gradients with double ...American Institute of Physics
pubs.aip.org
von EG Hohenstein · · Zitiert von: 1 — Maximilian Scheurer. ORCID logo ;. Maximilian Scheurer. (Conceptualization). 2. Covestro Deutschland AG. , Leverkusen ,. Germany.
PyContact: Rapid, Customizable, and Visual Analysis of ...ScienceDirect
www.sciencedirect.com
von M Scheurer · · Zitiert von: 73 — ... and Visual Analysis of Noncovalent Interactions in MD Simulations. Author links open overlay panel. Maximilian Scheurer
Maximilian Scheurer - Google Scholar
scholar.google.de
Covestro Deutschland AG - mal zitiert - Theoretical Chemistry - Com…tional Chemistry
A long-lived fluorenyl cation: Efficiency booster for uncaging ...elsevierpure.com
graz.elsevierpure.com
von C Abdellaoui · · Zitiert von: 2 — Chahinez Abdellaoui, Volker Hermanns, Matiss Reinfelds, Maximilian Scheurer, Andreas Dreuw, Alexander Heckel, Josef Wachtveitl*.
Complex excited state polarizabilities in the ADC/ISR framework
aip.scitation.org
von M Scheurer · · Zitiert von: 5 — Maximilian Scheurer1,a), Thomas Fransson1,2, Patrick Norman3, Andreas Dreuw1, and Dirk R. Rehn1,b). more...View Affiliations. 1Interdisciplinary Center for ... von DA Fedotov — Daniil Alexandrovich Fedotov 1 , Mikael Scott 2 , Maximilian Scheurer 3 , Dirk Robert Rehn 4 , Andreas Dreuw 5 , and Sonia Coriani 1 , a). › doi › abs
Efficient Open-Source Implementations of Linear-Scaling ...ChemRxiv
chemrxiv.org
von M Scheurer · · Zitiert von: 7 — Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R. Rehn journal article. The Journal of Chemical Physics , Volume 153, Issue 7.
Efficient quantum analytic nuclear gradients with double ...National Institutes of Health (.gov)
pubmed.ncbi.nlm.nih.gov
von EG Hohenstein · · Zitiert von: 1 — Edward G Hohenstein , Oumarou Oumarou , Rachael Al-Saadon , Gian-Luca R Anselmetti , Maximilian Scheurer , Christian Gogolin , Robert M ...
NAMD goes quantum: an integrative suite for hybrid ...Europe PMC
europepmc.org
von MCR Melo · · Zitiert von: 148 — Marcelo C. R. Melo,1,2,* Rafael C. Bernardi,1,* Till Rudack,1,3Maximilian Scheurer,4,5 Christoph Riplinger,6 James C. Phillips,1 Julio D. C. Maia,7 Gerd B.
Selective Modification for Red-Shifted Excitability - Europe PMC
europepmc.org
von Y Becker · · Zitiert von: 6 — Yvonne Becker, 1 Sina Roth, 2Maximilian Scheurer, 3 Dr. Andreas Jakob, 1 Dr. Daniel A. Gacek, 4 Prof. Dr. Peter J. Walla, 4 Prof. › pmc › pm...
Open-source software for high-throughput quantum chemistryhelsinki.fi
researchportal.helsinki.fi
von DGA Smith · · Zitiert von: 451 — ... Asem Alenaizan, Andrew M. James, Susi Lehtola, Jonathon P. Misiewicz, Maximilian Scheurer, Robert A. Shaw, Jeffrey B. Schriber, Yi Xie, ...
adcc: A versatile toolkit for rapid development of algebraic ...
hal.archives-ouvertes.fr
von MF Herbst · · Zitiert von: 27 — Michael F. Herbst, Maximilian Scheurer, Thomas Fransson, Dirk R. Rehn, Andreas Dreuw. adcc: A versatile toolkit for rapid development of ... › ha...
Software for the Frontiers of Quantum Chemistry: An Overview ...University of Nevada, Las Vegas
digitalscholarship.unlv.edu
von E Epifanovsky · · Zitiert von: 405 — ... Elliot Rossomme, Tarek Scheele, Maximilian Scheurer, Matthias Schneider, Nickolai Sergueev, Shaama M. Sharada, Wojciech Skomorowski, ...
Recent developments in the P y SCF program packageIBM Research
research.ibm.com
von Q Sun · · Zitiert von: 396 — ... Artem Pulkin · Wirawan Purwanto · Paul J. Robinson · Enrico Ronca · Elvira R. Sayfutyarova · Maximilian Scheurer · Henry F. Schurkus · James E.T. Smith ...
Solving Response Expressions in the ADC/ISR FrameworkChemRxiv
chemrxiv.org
von M Scheurer · — Maximilian Scheurer · Author ORCID: We display the ORCID iD icon alongside authors names on our website to ... von M Scheurer · · Zitiert von: 9 — Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees. Working Paper. Authors. Maximilian Scheurer ...
Recent developments in the PySCF program packageOSTI.GOV (.gov)
www.osti.gov
von Q Sun · · Zitiert von: 396 — Maximilian Scheurer,31. Henry F. Schurkus,2. James E. T. Smith,25. Chong Sun,2. Shi-Ning Sun,12 Shiv Upadhyay,32. Lucas K. Wagner,33. Xiao Wang,34.
Solving Response Expressions in the ADC/ISR FrameworkInternet Archive Scholar
scholar.archive.org
2023 · Zitiert von: 1 — Maximilian Scheurer,1, a) Antonia Papapostolou,1, a) Thomas Fransson,2 Patrick. Norman,3 Andreas Dreuw,1 and Dirk R. Rehn1, b).
The rupture mechanism of rubredoxin is more complex than ...RSC Publishing
pubs.rsc.org
von M Scheurer · · Zitiert von: 2 — The rupture mechanism of rubredoxin is more complex than previously thought†. Check for updates. Maximilian Scheurer, ORCID logo a Andreas Dreuw, ORCID logo ...
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