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Posters/Talks

selected posters:
R.A. Bachorz, A. Glöß, W. Klopper
The RI-MP2-R12 method in Turbomole
Presented in:
CCP2 workshop on explicitly correlated wavefunctions.
2-5 April 2006, University of Nottingham, UK

Link to the PDF file
R.A. Bachorz, W. Klopper
Explicitly correlated calculations on neutral and anionic uracil
Presented in:
6th European Conference on Computational Chemistry
3-7 September 2006, Tale, Slovakia

Link to the PDF file
R.A. Bachorz, W. Klopper
Explicitly correlated study on adiabatic electron affinity
and relative stability of various tautomers of anionic uracil
Presented in:
Highly accurate calculations of molecular electronic structure.
22-24 March 2007, Bad Herenalb, Germany

Link to the PDF file
R.A. Bachorz, W. Klopper
Nucleobase-fluorobenzene interactions: hydrogen bonds or π − π stacking
Presented in:
Molecular Quantum Mechanics – Analytic Gradients and Beyond
May 29-June 3 2007, Budapest, Hungary

Link to PDF file
R.A. Bachorz, F.A. Bischoff, A. Glöß, S. Höfener, W. Klopper
CCSD(F12) in Turbomole: Theory, implementation and first results
Presented in:
Symposium on Advanced Methods of Quantum Chemistry and Physics
2-6 September 2007, Toruń, Poland

Link to the PDF file
R.A. Bachorz, W.D. Allen
Multireference coupled-cluster investigation of the trimethylene diradical
Presented in:
Southeastern Theoretical Chemistry Association (SETCA) 2008
16-17 May, Tuscaloosa AL, United States

Link to the PDF file
selected talks:
The RI-MP2-R12 method in TURBOMOLE. Theory and applications
June 1st 2006, Warsaw, Poland
Seminar for the Quantum Chemistry Group at the Univeristy of Warsaw

Link to the PDF file
RI-MP2-R12 and coupled-cluster calculations on the uracil anion
December 8-10 2006, Pühajärve, Estonia
Nanoquant Researcher’s Meeting

Link to the PDF file
Multireference coupled-cluster inverstigation of trimethylene diradical
Karlsruhe, Germany
Seminar for the Theoretical Chemistry Group

Link to the PDF file
Scope and limitation of the SCS-MP2 method for stacking interactions
December 8 2007, Karlsruhe, Germany
Minisymposium on Theoretical Chemistry

Link to the PDF file
An introduction to coupled-cluster diagrams
December 6 2007, Karlsruhe, Germany
Seminar for the Theoretical Chemistry Group

Link to the PDF file
Perturbation theory with Breit-Pauli operators
November 27 2006, Karlsruhe, Germany
Seminar for the Theoretical Chemistry Group

Link to the PDF file
CCSD(F12) in TURBOMOLE. (very) Preliminary report
March 6-9 2008, Hirschegg, Austria (ski-Seminar)
Seminar of Mainz, Stuttgart and Karlsruhe Theoretical Chemistry Groups

Link to the PDF file
The CCSD, explicit correlation and TURBOMOLE.
April 29 2008, Athens GA, The US
Seminar at the CCQC

Link to the PDF file