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News
Ψk Newsletter - Psi-k
www.psi-k.org
[27] Reinhart Ahlrichs, Michael Bär, Marco Häser, Hans Horn, and Christoph Kölmel. Chem. Phys. Lett., 162, 165 – 169, [28] E. L. Briggs, D. J. Sullivan, and J. Bernholc. Phys. Rev. B, 52, R5471–R5474, [29] M. A. L. Marques, Alberto Castro, George F. Bertsch, and Angel Rubio. Comput. Phys.
Netzwerk-Profile
Marco Häser - Eisenhüttenstadt (10. POS Alexander Schulgin)
www.stayfriends.de
Marco Häser ist Mitglied bei StayFriends und hat bis diese Schule besucht: 10. POS Alexander Schulgin.
charmm-turbomole-examples/dscf.out at master ·...
github.com
Example input files for CHARMM-TURBOMOLE QM/MM MD simulations. - charmm-turbomole-examples/dscf.out at master · RowleyGroup/charmm-turbomole-examples
molden2qmc/out at master · Konjkov/molden2qmc · GitHub
github.com
molden to Casino input converter. Contribute to Konjkov/molden2qmc development by creating an account on GitHub.
Bücher
Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts -...
books.google.de
In this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major...
Zweihundert Jahre Entwicklung der Theoretischen Chemie im...
books.google.de
Die Theoretische Chemie hat eine zweihundert Jahre alte Tradition in der Chemie. Zu Anfang des 19. Jahrhunderts, als die Chemie sich als eigenständige...
Dokumente zum Namen
Biography of Jan Erik Almlöf
pdfslide.us
Jan Erik Almlo¨f was born in Malung, Sweden on 1 April He received his Fil. Kand. degree at the University of Uppsala in He started his research...
Electronic structure calculations on workstation computers: The...
www.scienceopen.com
Authors: Reinhart Ahlrichs, Michael Bär, Marco Häser, Hans Horn, Christoph Kölmel. Publication date ( Print ): October Journal: Chemical Physics Letters.
Wissenschaftliche Veröffentlichungen
Bifunctional Organocatalysis in the Asymmetric RWTH Publications
publications.rwth-aachen.de
Frank Haase, Marco Häser, Hans Horn, Christof Hättig, Christian Huber, Uwe Huniar,. Marco Kattannek, Andreas Köhn, Christoph Kölmel, Markus Kollwitz, ...
Chemical Physics Letters | Vol 240, Issue 4, Pages (30 June...
www.sciencedirect.com
Karin Eichkorn, Oliver Treutler, Holger Öhm, Marco Häser, Reinhart Ahlrichs. Pages : Download PDF. Article preview. select article On the possible role ...
Veröffentlichungen allgemein
Exploiting non-abelian point group symmetry in direct two-electron...
link.springer.com
A simple and general scheme to exploit any discrete point group symmetry in two-electron integral transformations is introduced. It has been implemented to
Møller-Plesset (MP2) perturbation theory for large molecules |...
link.springer.com
Marco Häser (1). Author Affiliations. 1. Institut für Physikalische Chemie, Lehrstuhl für Theoretische Chemie, Universität KarlsruheD , ...
RI-MP2: first derivatives and global consistency | SpringerLink
link.springer.com
The evaluation of RI-MP2 first derivatives with respect to nuclear coordinates or with respect to an external electric field is described. The prefix RI...
Suchergebnis: Häser, Marco.
finden.nationallizenzen.de
Marco Häser. Veröffentlichungen von Marco Häser zu Häser, Marco. ->. weitere Veröffentlichungen von Marco Häser: Molecular point-group symmetry in ...
Video & Audio
marco haeser - YouTube
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Teile deine Videos mit Freunden, Verwandten oder der ganzen Welt
Artikel & Meinungen
Wikipedia: Q-Chem - Wikipedia
Q-Chem is a general-purpose electronic structure package featuring a variety of established (5–6): 359–363. Bibcode:1993CPL F. doi: (93) W. ^ Florian Weigend & Marco Häser (October 13, 1997).
Wikipedia: TURBOMOLE - Wikipedia
Reinhart Ahlrichs, Michael Bär, Marco Häser, Hans Horn, Christoph Kölmel: Electronic structure calculations on workstation computers: The program system ...
Sonstiges
Bibliography — Molcas Manual (version )
molcas.gitlab.io
[116], Marco Häser, Reinhart Ahlrichs. Improvements on the direct SCF method. J. Comput. Chem., 10:104–111, doi: jcc
Frontiers | TD-DFT insight into photodissociation of the Co-C bond in...
www.frontiersin.org
... Peter Deglmann, Michael Ehrig, Karin Eichkorn, Simon Elliott, Filipp Furche, Frank Haase, Marco Häser, Christof Hättig, Arnim Hellweg, Hans ...
Heidelberger Akademie der Wissenschaften. Jahrbuch PDF Kostenfreier...
docplayer.org
Entsprechend hat er dann mit seinem Doktoranden Marco Häser die Entwicklung des besonders auf solche Rechner angepassten Quantenchemie Programmpakets TURBOMOLE betrieben. Dabei verfolgte er immer das zweifache Ziel: (i) der ganzen Chemie (auch den Experimentatoren) ein möglichst praktisches ...
Q-Chem - Wikipedia's Q-Chem as translated by GramTrans
epo.wikitrans.net
Bibcode:1993CPL F. doi: (93) W. ^ Florian Weigend and Marco Häser (October 13, 1997). "RI-MP2: first ...
Q-Chem Explained
everything.explained.today
What is Q-Chem? Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented ...
Reaction behaviour of a complex containing a tungsten phosphorus...
pubs.rsc.org
Manfred Scheer, Jan Müller, Gerhard Baum, Manfred Scheer, Jan Müller, Gerhard Baum and Marco Häser. Chem. Commun., 1998, DOI:
TURBOMOLE
deathpix.com
Reinhart Ahlrichs, Michael Bär, Marco Häser, Hans Horn, Christoph Kölmel: Electronic structure calculations on workstation computers: The program system ...
Spartano (softvaro) - Wikipedia's Spartan (software) as translated by...
epo.wikitrans.net
Bibcode:1993CPL F. doi: (93) W. ^ Florian Weigend & Marco Häser (October 13, 1997). "RI-MP2: first derivatives and global consistency". Theoretical Chemistry Accounts (Springer Berlin / Heidelberg). 97 (1-4): doi: s ^ Robert A. Distasio ...
TURBOMOLE — Wikipedia Republished // WIKI 2
wiki2.org
TURBOMOLE. Quite the same Wikipedia. Just better.
TURBOMOLE - Wikipedia's TURBOMOLE as translated by GramTrans
epo.wikitrans.net
Reinhart Ahlrichs, Michael Bär, Marco Häser, Hans Horn, Christoph Kölmel: Electronic structure calculations on workstation computers: The ...
Turbomole USER'S MANUAL - PDF Free Download
docplayer.net
... Frank Haase, Marco Häser, Christof Hättig, Arnim Hellweg, Benjamin Helmich, Sebastian Höfener, Hans Horn, Christian Huber, Uwe Huniar, Marco Kattannek ...
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