Theoretical 1H(Se—H) NMR shifts in meta-substituted Ph—XH (X = O, S, Se)

Becke AD (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

Ditchfield R (1974) Mol. Phys. 27: 789.Search in Google Scholar

Duddeck H (1995) Prog. in NMR Spectroscopy 27: 1-323.10.1016/0079-6565(94)00005-FSearch 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; GAUSSIAN 03. Revision A.1. Pittsburg. Pa. (2003).Search in Google Scholar

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

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

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

Lalezari I, Sharghi N (1964) Spectrochim. 20: 237.Search in Google Scholar

Leeck DT, Li R, Chyall LJ, Kenttamaa HI (1996) J. Phys. Chem. 100: 6608-6611.Search in Google Scholar

Merijanian A. Zingaro RA. Sagan LS. Irgolic KJ (1969) Spectrochim. Acta 25: 1160.10.1016/0584-8539(69)80115-7Search in Google Scholar

Newcomb M, Varick TR, Ha C, Manek MB, Yue XJ (1992) J. Am. Chem. Soc. 114: 8158.Search in Google Scholar

Smith RL, Chyall LJ, Stirk KM, Kenttamaa HI (1993) Org. Mass Spectrom. 28: 1623.Search in Google Scholar

Yan SG, Zhang AL, Zhou K (1995) Spectrochim. Acta A 51: 2421-2423.10.1016/0584-8539(95)01463-2Search in Google Scholar