Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling

Celina Sikorska , Agnieszka Gajewicz , Piotr Urbaszek , Łukasz Lubiński , Tomasz Puzyn


Author Celina Sikorska (FCh / DTCh / LMM)
Celina Sikorska,,
- Laboratory of Molecular Modeling
, Agnieszka Gajewicz (FCh / DEChR / LECh)
Agnieszka Gajewicz,,
- Laboratory of Environmental Chemometrics
, Piotr Urbaszek (FCh / DEChR / LECh)
Piotr Urbaszek,,
- Laboratory of Environmental Chemometrics
, Łukasz Lubiński (FCh / DEChR / LECh)
Łukasz Lubiński,,
- Laboratory of Environmental Chemometrics
, Tomasz Puzyn (FCh / DEChR / LECh)
Tomasz Puzyn,,
- Laboratory of Environmental Chemometrics
Journal seriesChemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, (A 35 pkt)
Issue year2016
Keywords in Englishfullerene derivatives, C60, C70, cyclopropene derivatives, solubility, quantitative structure-property relationship, nano-QSPR
URL http://dx.doi.org/10.1016/j.chemolab.2016.02.003
Languageen angielski
Score (nominal)40
ScoreMinisterial score = 35.0, 20-12-2017, ArticleFromJournal
Ministerial score (2013-2016) = 40.0, 20-12-2017, ArticleFromJournal
Publication indicators WoS Impact Factor: 2016 = 2.303 (2) - 2016=2.593 (5)
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