Gallic acid: thermodynamics of the homolytic and heterolytic phenolic O—H bonds splitting-off

Alberti A, Amorati R, Campredon M, Lucarini M, Macciantelli D, Pedulli GF (2009) Acta Alimentaria 38: 427—436.10.1556/AAlim.38.2009.4.3Search in Google Scholar

Álvarez-Diduk R, Ramírez-Silva MT, Galano A, Merkoçi A (2013) J. Phys. Chem. B 117: 12347—12359.Search in Google Scholar

Bartmess JE (1994) J. Phys. Chem. 98: 6420—6424.Search in Google Scholar

Becke A (1993) J. Chem. Phys. 98: 5648—5652.Search in Google Scholar

Binkley JS, Pople JA, Hehre WJ (1980) J. Am. Chem. Soc. 102: 939—947.Search in Google Scholar

Cances E, Mennucci B, Tomasi J (1997) J. Chem. Phys. 107: 3032—3041.Search in Google Scholar

Cances E, Mennucci B (1998) J. Math. Chem. 23: 309—326.Search in Google Scholar

Chen Y, Xiao H, Zheng J, Liang G (2015) PLoS ONE 10(3): e0121276.10.1371/journal.pone.0121276437240725803685Search in Google Scholar

Denisova TG, Denisov ET (2008) Russ. Chem. Bull. 57: 1858—1866.Search in Google Scholar

Đorović J, Dimitrić Marković JM, Stepanić V, Begović N, Amić D, Marković Z (2014) J. Mol. Model. (2014) 20: 2345.Search in Google Scholar

Eslami AC, Pasanphan W, Wagner BA, Buettner GR (2010) Chemistry Central Journal 4: 15.10.1186/1752-153X-4-15292433820687941Search in Google Scholar

Galaverna RS, Bataglion GA, Heerdt G, De Sa GF, Daroda R, Cunha VS, Morgon NH, Eberlin MN (2015) Eur. J. Org. Chem. 2015: 2189—2196.Search in Google Scholar

Gülçin İ (2012) Arch. Toxicol. 86: 345—391.Search in Google Scholar

Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr., Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas Ö, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09, Revision D.01, Gaussian, Inc., Wallingford CTSearch in Google Scholar

Huguenin J, Hamadya SOS, Bourson P (2015) J. Raman Spectrosc. 46: 1062—1066.10.1002/jrs.4752Search in Google Scholar

Ji H-F, Zhang H-Y, Shen L (2006) Bioorg. Med. Chem. Lett. 16: 4095—4098.Search in Google Scholar

Klein E, Lukeš V (2006) J. Phys. Chem. A 110: 12312—12320.Search in Google Scholar

Klein E, Lukes V, Ilčin M (2007) Chem Phys. 336: 51—57.Search in Google Scholar

Klein E, Rimarčík J, Senajová E, Vagánek A, Lengyel J (2016) Comp. Theor. Chem. 1085: 7—17.Search in Google Scholar

Koroleva O, Torkova A, Nikolaev I, Khrameeva E, Fedorova T, Tsentalovich M, Amarowicz R (2014) Int. J. Mol. Sci. 15: 16351—16380.Search in Google Scholar

Lee C, Yang W, Parr RG (1988) Phys. Rev. B 37: 785—789.Search in Google Scholar

Lemańska K, Szymusiak H, Tyrakowska B, Zieliński R, Soffers AEMF, Rietjens IMCM (2001) Free Rad. Biol. Med. 31: 869—881.Search in Google Scholar

Lengyel J, Rimarčík J, Vagánek A, Klein E (2013) Phys. Chem. Chem. Phys. 15: 10895—10903.Search in Google Scholar

Leopoldini M, Marino T, Russo N, Toscano M (2004) J. Phys. Chem. A 108: 4916—4922.Search in Google Scholar

Lu Z, Nie G, Belton PS, Tang H, Zhao B (2006) Neurochemistry International 48: 263—274.10.1016/j.neuint.2005.10.01016343693Search in Google Scholar

Marenich AV, Cramer CJ, Truhlar DG (2009) J. Phys. Chem. B. 113: 6378—6396.Search in Google Scholar

Marković Z, Amić D, Milenković D, Dimitrić-Marković JM, Marković S (2013) Phys. Chem. Chem. Phys. 15: 7370—7378.Search in Google Scholar

Marković Z, Đorović J, Dimitrić Marković JM, Biočanin R, Amić D (2016) Turk. J. Chem. 40: 499—509.Search in Google Scholar

Michalík M, Škorňa P, Lukeš V (2015) Acta Chimica Slovaca 8: 120—125.10.1515/acs-2015-0021Search in Google Scholar

Mohajeri A, Asemani SS (2009) J. Mol. Struct. 930: 15—20.Search in Google Scholar

Musialik M, Kuzmicz R, Pawlowski TS, Litwinienko G (2009) J. Org. Chem. 74: 2699—2709.Search in Google Scholar

Rimarčík J, Lukeš V, Klein E, Ilčin M (2010) J. Mol. Struct. THEOCHEM 952: 25—30.10.1016/j.theochem.2010.04.002Search in Google Scholar

Saqib M, Mahmood A, Akram R, Khalid B, Afzal S, Kamal GM (2015) J. Pharm. Appl. Chem. 1: 65—71.Search in Google Scholar

Škorňa P, Rimarčík J, Poliak P, Lukeš V, Klein E (2016) Comp. Theor. Chem. 1077: 32—38.Search in Google Scholar

Šolc R, Gerzabek MH, Lischka H, Tunega D (2014) Comp. Theor. Chem. 1032: 42—49.Search in Google Scholar

Toscano M, Russo N (2016) Comp. Theor. Chem. 1077: 119—124.Search in Google Scholar

Vagánek A, Rimarčík J, Dropková K, Lengyel J, Klein E (2014) Comp. Theor. Chem. 1050: 31—38.Search in Google Scholar

Yin J, Andersen ML, Skibsted LH (2013) J. Agric. Food Chem. 61: 3159—3166.10.1021/jf400219r23461366Search in Google Scholar

Zhao Y, Truhlar DG (2008) Theor. Chem. Acc. 120: 215—241.Search in Google Scholar