Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

Poster session, J38 201Recent developments of the Loomis-Wood for windows programpackage for interactive assigning of vibration-rotation spectraWiesław Lodyga 1 , Marek Kręglewski 1 , Petr Pracna 2 , Štěpán Urban 31Adam Mickiewicz University, Poznań, Poland, wlodyga@amu.edu.pl2J.Heyrovský Institute of Physical Chemistry, Prague, Czech Republic, pracna@jh-inst.cas.cz3Institute of Chemical Technology, Prague, Czech Republic, stepan.urban@vscht.czLodyga W.Marek KreglewskiPracna P.Urban S.The LWW program 1 has been recently updated, mainly by the implementation of thetraditional Giessen/Cologne type Loomis-Wood algorithm 2 . It offers a possibility of avisually controlled search for series of transitions (branches) without a prior knowledgeof accurate lower state combination differences (LSCD).It can be, however, easily combined with the approach based on the interactive LSCDchecking of assignments. For this purpose, the manipulation with branches has beenmade more flexible in the new revision of the LWW program. The most important newfunctions of the program allow changing the assignments of whole branches (i.e. the Kand l quantum numbers of symmetric top molecules or K a , K c for asymmetric topmolecules) as well as shifting the J-assignments within the assigned branches.The description of the new program features is now available on the program web pagehttp://www.lww.amu.edu.pl/. The new program features will be demonstrated in a livedemonstration.References[1] W. Lodyga, M. Kreglewski, P. Pracna, Š. Urban, J.Mol.Spectrosc. 243 (2007) 218-224; doi:10.1016/js.2007.02.004.[2] B.P. Winnewisser, J. Reinstädtler, K.M.T. Yamada, J. Behrend, J.Mol.Spectrosc.136 (189) 12-16.