caa a22 4500 445328770 CHVBK 20180317142730.0 cr unu---uuuuu 170323e20110201xx s 000 0 eng 10.1007/s10953-010-9646-2 doi (NATIONALLICENCE)springer-10.1007/s10953-010-9646-2 Quantitative Structure-Reduction Potential Relationship Study ofSome Quinones in Five Solvents [Elektronische Daten] [Mohammad Hadjmohammadi, Kamyar Kamel, Pourya Biparva] The reduction half-wave potentials of nine quinones in five solvents are predicted by a statistically validated quantitative structure-reduction potential relationship modeling approach. The multiple linear regressions obtained were constructed based on a variety of electronic molecular descriptors calculated by the MOPAC software along with some solvent characteristics as independent variables. Reduction half-wave potentials of quinones were considered as dependent variables. The best of the selected descriptors that appear in the model are the minimum charge of the oxygen atom on the carbonyl group, Guttmann acceptor number of the solvent, final heat of formation, dipole moment of the solvent, and the lowest unoccupied molecular orbital (LUMO) energy. The model was validated by the leave-one-out cross validation method. The statistical parameters derived from this test were R 2=0.976, Q 2=0.970 and SPREES=0.052, which indicate the suitability of the constructed model. Springer Science+Business Media, LLC, 2011 Quantitative structure-reduction potential relationship nationallicence Reduction half-wave potential nationallicence Quinones nationallicence Multiple linear regression nationallicence Hadjmohammadi Mohammad Department of Chemistry, University of Mazandaran, Babolsar, Iran aut Kamel Kamyar Department of Chemistry, University of Mazandaran, Babolsar, Iran aut Biparva Pourya Department of Chemistry, University of Mazandaran, Babolsar, Iran aut Journal of Solution Chemistry Springer US; http://www.springer-ny.com 40/2(2011-02-01), 224-230 0095-9782 40:2<224 2011 40 10953 https://doi.org/10.1007/s10953-010-9646-2 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10953-010-9646-2 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Hadjmohammadi Mohammad Department of Chemistry, University of Mazandaran, Babolsar, Iran aut NATIONALLICENCE 700 1- Kamel Kamyar Department of Chemistry, University of Mazandaran, Babolsar, Iran aut NATIONALLICENCE 700 1- Biparva Pourya Department of Chemistry, University of Mazandaran, Babolsar, Iran aut NATIONALLICENCE 773 0- Journal of Solution Chemistry Springer US; http://www.springer-ny.com 40/2(2011-02-01), 224-230 0095-9782 40:2<224 2011 40 10953 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer