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 |