1. bookVolume 12 (2019): Edition 2 (October 2019)
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Antioxidant action of phenols: Revisiting theoretical calculations of their thermodynamics

Publié en ligne: 21 Jan 2020
Volume & Edition: Volume 12 (2019) - Edition 2 (October 2019)
Pages: 212 - 217
Détails du magazine
License
Format
Magazine
eISSN
1339-3065
Première parution
10 Dec 2012
Périodicité
2 fois par an
Langues
Anglais

Becke AD (1988) Phys. Rev. A. 38: 3098.Search in Google Scholar

Bordwell FG, Cheng J (1991) J. Am. Chem. Soc. 113: 1736—1743.Search in Google Scholar

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

Francl MM, Pietro WJ, Hehre WJ, Binkley JS, Gordon MS, DeFrees DJ, Pople JA (1982) J. Chem. Phys. 77: 3654—3665.Search in Google Scholar

Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Petersson GA, Nakatsuji H, Li X, Caricato M, Marenich AV, Bloino J, Janesko BG, Gomperts R, Mennucci B, Hratchian HP, Ortiz JV, Izmaylov AF, Sonnenberg JL, Williams-Young D, Ding F, Lipparini F, Egidi F, Goings J, Peng B, Petrone A, Henderson T, Ranasinghe D, Zakrzewski VG, Gao J, Rega N, Zheng G, Liang W, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Throssell K, Montgomery JA Jr., Peralta JE, Ogliaro F, Bearpark MJ, Heyd JJ, Brothers EN, Kudin KN, Staroverov VN, Keith TA, Kobayashi R, Normand J, Raghavachari K, Rendell AP, Burant JC, Iyengar SS, Tomasi J, Cossi M, Millam JM, Klene M, Adamo C, Cammi R, Ochterski JW, Martin RL, Morokuma K, Farkas O, Foresman JB and Fox DJ (2016) Gaussian 16, Revision B.01, Gaussian, Inc. Wallingford CT.Search in Google Scholar

Fujio M, McIver Jr RT, Taft RW (1981) J. Am. Chem. Soc. 103: 4017—4029.Search in Google Scholar

Hammett LP (1937) J. Am. Chem. Soc. 59: 96—103.Search in Google Scholar

Hansch C, Leo A, Taft RW (1991) Chem. Rev. 91: 165—195.Search in Google Scholar

Hariharan PC, Pople JA (1973) Theor. Chim. Acta. 28: 213—222.Search in Google Scholar

Huang F, Jiang J, Wen M, Wang ZX (2014) J. Theor. Comput. Chem. 13: 1350074.Search in Google Scholar

Jaffé HH (1953) Chem. Rev. 53: 191—261.Search in Google Scholar

Klein E, Lukeš V (2006a) J. Phys. Chem. A, 110: 12312—12320.10.1021/jp063468i17078630Search in Google Scholar

Klein E, Lukeš V (2006b) J. Mol. Struct.(THEOCHEM) 767: 43—50.10.1016/j.theochem.2006.04.017Search in Google Scholar

Klein E. Lukeš V (2006c) Chem. Phys. 330: 515—525.10.1016/j.chemphys.2006.09.026Search in Google Scholar

Klein E, Rimarcik J, Lukes V (2009) Acta Chim. Slovaca, 2: 37—51.Search in Google Scholar

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

Luo S, Zhao Y, Truhlar DG (2011) Phys. Chem. Chem. Phys. 13: 13683—13689.Search in Google Scholar

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

Michalík M, Vagánek A, Poliak P (2014) Acta Chim. Slovaca. 7: 123—128.Search in Google Scholar

Nazarparvar E, Zahedi M, Klein E (2012) J. Org. Chem. 77: 10093—10104.Search in Google Scholar

Peverati R, Truhlar DG (2011) J. Phys. Chem. Lett. 2: 2810—2817.Search in Google Scholar

Rassolov VA, Pople JA, Ratner MA, Windus TL (1998) J. Chem. Phys. 109: 1223—1229.Search in Google Scholar

Rimarčík J, Lukeš V, Klein E, Rottmannová L (2011) Comp. Theor. Chem. 967: 273—283.Search in Google Scholar

Škorňa P, Lengyel J, Rimarčík J, Klein E (2014) Comput. Theor. Chem. 1038: 26—32.Search in Google Scholar

Vagánek A, Rimarcik J, Lukes V, Rottmannová L, Klein E (2011) Acta Chim. Slovaca 4: 55—71.Search in Google Scholar

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

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