Please use this identifier to cite or link to this item:
https://olympias.lib.uoi.gr/jspui/handle/123456789/9913| Title: | A BSSE-corrected CASSCF/NEVPT2 procedure. An application to weakly bonded OH..pi heterodimer complexes |
| Institution and School/Department of submitter: | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας |
| Keywords: | casscf,nevpt2,bsse,weakly bonded complexes,oh..intermolecular interactions,2nd-order perturbation-theory,field reference function,state,water,implementation,benzene-h2o,energies,system,atoms |
| URI: | https://olympias.lib.uoi.gr/jspui/handle/123456789/9913 |
| ISSN: | 0026-8976 |
| Link: | <Go to ISI>://000251714900015 http://www.tandfonline.com/doi/pdf/10.1080/00268970701604689 |
| Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Kalatzis-2007-A BSSE-corrected CAS.pdf | 605.96 kB | Adobe PDF | View/Open Request a copy |
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