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The IOTC method was implemented in the local version of the Molcas 5.4 system of programs by D. Kȩdziera (Department of Quantum Chemistry, Institute of Chemistry, Nicolaus Copernicus University, Toruń, Poland, 2003) and by D. Kȩdziera and one of the present authors (V.K.) in Molcas 6.5. The corresponding patches for Molcas 5 and Molcas 6 releases of Molcas can be obtained directly either from D. Kçdziera (e-mail: teodar@chem.uni.torun.pl) or from V. Kellö (e-mail: kelloe@fns.uniba.sk).
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The IOTC method was implemented in the local version of the Molcas 5.4 system of programs by D. Kȩdziera (Department of Quantum Chemistry, Institute of Chemistry, Nicolaus Copernicus University, Toruń, Poland, 2003) and by D. Kȩdziera and one of the present authors (V.K.) in Molcas 6.5. The corresponding patches for Molcas 5 and Molcas 6 releases of Molcas can be obtained directly either from D. Kçdziera (e-mail: teodar@chem.uni.torun.pl) or from V. Kellö (e-mail: kelloe@fns.uniba.sk).
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Andersson K., Barysz M., Bernhardsson A., Blomberg M. R. A., Carissan Y., Cooper D. L., Cossi M., Devararajan A., Fülscher M. P., Gaenko A., Gagliardi L., de Graaf C., Hagberg D., Hess B. A., Karlström G., Krogh J. W., Lindh R., Malmqvist P.-Å., Nakajima T., Neogrády P., Olsen J., Pedersen T. B., Raab J., Roos B. O., Ryde U., Schimmelpfennig B., Schütz M., Seijo L., Serrano-Andrès L., Siegbahn P. E. M., Stårring J., Thorsteinsson T., Veryazov V., Widmark P.-O.: Molcas, Version 6.5. Lund University, Lund 2006.
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