Excited state calculations of some large molec.

[Dr. Hatice Can]

Dear All,
If someone give me any advice or suggestions about the suitability of
Molpro for excited state calculations of methylenblue and thionin
molecules which are large molecules, I would be very much appricated.

Thank you in advance

Hatice


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Dr. Hatice Can

Darmstadt University of Technology
Chemistry Department
Physical Chemistry I
Petersenstrase 20 
64287  Darmstadt 
Germany

Phone: (+49) 6151 16 5397
Fax: (+49) 6151 16 4298
E-mail: hatice at pc.chemie.tu-darmstadt.de
WWW: http://www.pc.chemie.tu-darmstadt.de/staff/hatice/

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