Quantum-chemical study of C— H bond dissociation enthalpies of various small non-aromatic organic molecules

Adamo C, Barone V (1999) Chem. Phys. Lett. 314, 152-157.Search in Google Scholar

Adamo C, Barone V (1999) J. Chem. Phys. 110, 6158-6170.Search in Google Scholar

Adamo C, Cossi M, Scalmani G, Barone V (1999) Chem. Phys. Lett. 307, 265-271.Search in Google Scholar

Bachrach SM (2007) Computational Organic Chemistry, John Wiley & Sons.10.1002/9780470148136Search in Google Scholar

Benson SW (1976) Thermochemical Kinetics, 2nd Ed.Wiley-Interscience: New York.Search in Google Scholar

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

Blanksby SJ, Ellison GB (2003) Acc. Chem. Res. 36, 366-263.Search in Google Scholar

Bordwell FG, Harrelson JA Jr. (1990) Can. J. Chem. 68, 1714-1718.Search in Google Scholar

Bordwell FG, Zhang XM, Cheng JP (1993) J. Org. Chem. 58, 6410-6414.Search in Google Scholar

Bordwell FG, Zhang XM, Satish AV, Cheng JP (1994) J. Am. Chem. Soc. 116, 6605-6610.Search in Google Scholar

Clayden J, Greeves N, Warren S, Wothers P (2001) Organic Chemistry, OUP: Oxford.Search in Google Scholar

Ditchfield R (1974) Mol. Phys. 27, 789-807.Search in Google Scholar

Dodds JL, McWeeny R, Sadlej AJ (1980) Mol. Phys. 41, 1419-1430.Search in Google Scholar

Ervin KM (2001) Chem. Rev. 101, 391-444.Search in Google Scholar

Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Jr., Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cosi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegava J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain M-C, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nakaryakkara A, Chalacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzales C, Pople JA (2003) GAUSSIAN 03. Revision A.1. Pittsburg. Pa.Search in Google Scholar

Jonsson M, Lind J, Eriksen TE, Merenyi G (1994) J. Am. Chem. Soc. 116, 1423-1427.Search in Google Scholar

Klein E, Lukeš V (2006) Chemical Physics 330, 515-525.10.1016/j.chemphys.2006.09.026Search in Google Scholar

Klein E, Lukeš V (2006) Journal of Molecular Structure: THEOCHEM 767, 43-50.10.1016/j.theochem.2006.04.017Search in Google Scholar

Klein E, Lukeš V, Cibulkova Z, Polovkova J (2006) Journal of Molecular Structure: THEOCHEM 758, 149-159.10.1016/j.theochem.2005.10.015Search in Google Scholar

Klein E, Lukeš V, Ilčin M (2007) Chemical Physics 336, 51-57.10.1016/j.chemphys.2007.05.007Search in Google Scholar

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

Lengyel J, Rimarčik J, Vaganek A, Fedor J, Lukeš V, Klein E (2012) Food Chemistry 133, 1435-1440.10.1016/j.foodchem.2012.02.031Search in Google Scholar

McFaul PA, Wayner DDM, Ingold KU (1997) J. Org. Chem. 62, 3409-3412.Search in Google Scholar

McWeeny R (1962) Phys. Rev. 126, 1028-1034.Search in Google Scholar

NIST webbook (2013) http://webbook.nist.gov/Pratt DA, DiLabio GA, Mulder P, Ingold KU (2004) Acc. Chem. Res. 37, 334-340.Search in Google Scholar

Rassolov VA, Ratner MA, Pople JA, Redfern PC, Curtiss LA (2001) Journal of Computational Chemistry 22, 976-984. 10.1002/jcc.1058Search in Google Scholar

Rimarčik J, Lukeš V, Klein E, Griesser M, Kelterer AM (2008) Chem. Phys. 353, 177-184.Search in Google Scholar

Rimarčik J, Lukeš V, Klein E, Rottmannova L (2011) Comp. Theor. Chem. 967, 273-283.Search in Google Scholar

Ruscic B, Berkowitz J, Curtiss, LA, Pople, JA (1989) J. Chem. Phys. 91, 114-121.Search in Google Scholar

Saracino GAA, Improta R, Barone V (2003) Chem. Phys. Lett. 373, 411-415.Search in Google Scholar

SDBS Web (2013) http://sdbs.riodb.aist.go.jp (National Institute of Advanced Industrial Science and Technology, 05-04-2013) Search in Google Scholar

Seakins PW, Pilling MJ, Niiranen JT, Gutman D, Krasnoperov, LN (1992) J. Phys. Chem. 96, 9847-9855.Search in Google Scholar

Vaganek A, Rimarčik J, Ilčin M, Škorňa P, Lukeš V, Klein E (2013) Comp. Theor. Chem., DOI: http://dx.doi.org/10.1016/j.comptc.2013.03.027.10.1016/j.comptc.2013.03.027Search in Google Scholar

Wolinski K, Hilton JF, Pulay P (1990) J. Am. Chem. Soc. 112, 8251-8260.Search in Google Scholar

Zhu Q, Zhang XM, Fry AJ (1997) Polym. Degrad. Stab. 57, 43-50.10.1016/S0141-3910(96)00224-8Search in Google Scholar