000 01213 a2200337 4500
005 20250517120107.0
264 0 _c20180208
008 201802s 0 0 eng d
022 _a0948-5023
024 7 _a10.1007/s00894-016-3118-6
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aLa Rocca, Mario Vincenzo
245 0 0 _aBenchmarking the DFT methodology for assessing antioxidant-related properties: quercetin and edaravone as case studies.
_h[electronic resource]
260 _bJournal of molecular modeling
_cOct 2016
300 _a250 p.
_bdigital
500 _aPublication Type: Journal Article
650 0 4 _aAntioxidants
_xchemistry
650 0 4 _aBenchmarking
_xmethods
650 0 4 _aFree Radical Scavengers
_xchemistry
650 0 4 _aPhenols
_xchemistry
650 0 4 _aQuercetin
_xchemistry
650 0 4 _aSolvents
_xchemistry
700 1 _aRutkowski, Malvina
700 1 _aRingeissen, Stéphanie
700 1 _aGomar, Jérôme
700 1 _aFrantz, Marie-Céline
700 1 _aNgom, Saliou
700 1 _aAdamo, Carlo
773 0 _tJournal of molecular modeling
_gvol. 22
_gno. 10
_gp. 250
856 4 0 _uhttps://doi.org/10.1007/s00894-016-3118-6
_zAvailable from publisher's website
999 _c26469482
_d26469482