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Latest update: 19 Nov 2010

Winter School in Theoretical Chemistry 2010

Accurate Molecular Structure by Experiment and Theory

December 13th–16th, 2010

The lecture notes are available.


Wesley Allen, University of Georgia
  • ''Interplay of derivatives of the eletronic and nuclear repulsion energy & The nonzero force dilemma'' (1h)
  • ''Fulminic acid, a quasilinear spectacle & Semiexperimental structures of amino acids'' (1h)
Emmanuel Fromager, Universit� de Strasbourg
  • ''Investigating rigourous combinations of wave function and density-functional theories'' (1h)
  • ''Combining wave function and density-functional theories by means of range separation: progress report'' (1h)

J�rgen Gauss, Johannes Gutenberg-Universit�t Mainz

  • ''Coupled-Cluster Theory as a Tool for High-Accuracy Quantum-Chemical Calculations'' (1h)
  • ''Accuracy of Computed Equilibrium Geometries'' (1h)

Georgiy V. Girichev, Ivanovo State University of Chemistry and Technology

  • ''High Temperature Gas-Phase Electron Diffraction'' (1h)
  • ''Molecular Structure of Lanthanide Trihalides'' (1h)

Jens-Uwe Grabow, Leibniz Universit�t Hannover

  • ''Accurate Molecular Structure, Dynamics and Precise Physics from Molecular Rotation Spectra ''(1h)
  • ''Microwave Coherence Spectroscopy''(1h)

Trygve Helgaker, University of Oslo

  • ''Geometry optimization'' (2h)
  • ''The exhaustion of the Schr�dinger equation'' (1h)
  • ''Molecules in strong magnetic fields'' (1h)

Hanna Lignell, University of California, Irvine

  • ''Structure, isomerization, and ionization of dinitrogen tetroxide on water (ice) and silica surfaces'' (1h)

Norbert Mitzel, Universit�t Bielefeld

  • ''The symbiosis between theory and experiment in gas phase structure determination: Methods for combination to combine the best from both worlds'' (1h)
  • ''Solid and gas-phase structures: the whole is more than the sum of its parts'' (1h)

Heinz Oberhammer, Universit�t T�bingen

  • ''Gas Electron Difraction: Theory'' (1h)
  • ''Gas Electron Diffraction: Experiment'' (1h)
  • ''Gas Electron Diffraction and Quantum Chemical Calculations'' (1h)

Cristina Puzzarini, Universit� di Bologna

  • ''Introductory lesson on rotational spectroscopy'' (1h)
  • ''Rotational spectroscopy at work'' (1h)

John Stanton, The University of Texas at Austin

  • ''The meaning(s) of molecular structure'' (1h)
  • '' "Semi-experimental" structures'' (1h)


Monday 13.12     Tuesday 14.12      Wednesday 15.12      Thursday 16.12
                                       08:15  Stanton 2     08:15  Allen 2                 
                    09:00  Gauss 1     09:00  Girichev 2    09:00  Grabow 2
09:15  Welcome      09:45  Gauss 2     09:45  Break         09:45  Break
09:30  Stanton 1    10:30  Break       10:00  Grabow 1      10:00  Fromager 1     
10:15  Oberhammer 1 11:00  Helgaker 3  10:45  Allen 1       10:45  Fromager 2  
11:00  Break        11:45  Lunch       11:30  Lignell 1     11:30  Break  
11:30  Oberhammer 2 13:00  Puzzarini 1 12:15  Lunch         11:45  Oberhammer 3 
12:15  Lunch        13:45  Puzzarini 2                      12:30  Discussion 
13:15  Lunch        14:30  Break              Free          13:00  Departure
14:00  Helgaker 1   15:00  Helgaker 4         Afternoon     
14:45  Helgaker 2   15:45  Girichev 1                       
15:30  Break        16:30  Break                                        
16:00  Posters      16:45  Mitzel 1                                        
                    17:30  Mitzel 2                                    
                    18:15  Div. of      
                           Comp. Chem.  

Poster: If you are interested, please download and distribute our poster!
Lecture notes: The lecture notes are now available.
Posters and abstracts: A poster session will be held on Monday evening. All members of the School are welcome and encouraged to put up a poster on the premises. The posters are browsable throughout the duration of the School.

The Book of Abstracts is now available. Please download it (and print it if desired).

See the Abstracts page for details on how to submit your abstract. Deadline is the same, December 3rd

Credits: Students who wish to have credits for the course, should write an essay on one of the School topics. The list of essay titles (PDF) will be provided soon after the school. The dead-line for submitting the essay is January 31st, 2011. Send a PDF of your essay to The course will give 3 ECTS.
Fees: The School is free of charge for academic staff and students
Questions: General questions concerning the School can be addressed to Dage Sundholm, Michael Patzschke and Raphael Berger, or by e-mail to
Address: Department of Chemistry
P.O. Box 55 (A.I. Virtasen aukio 1)
FI-00014 University of Helsinki
Telephone:+358-9-191 50176
FAX: +358-9-191 50169
How to find the campus: Check out the contact info pages for Laboratory for Instruction in Swedish
See also the map Chemicum on Google Maps
Practical notes: Some things to consider.
  • Arriving at the airport, bus 615/615T/615N will take you to the city centre for 4 �. You can use the same ticket for travel with all public transportation in the Helsinki region. (Within Helsinki, a ticket costs 2.50 �.) In the time table found here, "Lentoasema" means "Airport" while "Rautatieasema" equals "Central railway station". Public transport in Helsinki
  • The Journey Planner and Google Maps might be helpful.
  • Look at the latest weather reports before travelling as temperatures might drop down to -15 degrees for the Winter School week.
Other things of interest: Helsinki might be cold, but is not dead in December. Check out the Tourist info page. Via that site, you can also find information about for example accommodation, like this:

Get more information about interesting conferences from the Upcoming conferences list at the Computational Chemistry List, CCL.

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Updated 24.03.2014 - 11:59