화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 The mechanism of the self-initiated thermal polymerization of styrene. Theoretical solution of a classic problem
Khuong KS, Jones WH, Pryor WA, Houk KN
Journal of the American Chemical Society, 127(4), 1265, 2005
2 Dienophile twisting and substituent effects influence reaction rates of intramolecular Diels-Alder cycloadditions: A DIFT study
Khuong KS, Beaudry CM, Trauner D, Houk KN
Journal of the American Chemical Society, 127(11), 3688, 2005
3 The performance of the Handy/Cohen functionals, OLYP and O3LYP, for the computation of hydrocarbon pericyclic reaction activation barriers
Guner VA, Khuong KS, Houk KN, Chuma A, Pulay P
Journal of Physical Chemistry A, 108(15), 2959, 2004
4 A standard set of pericyclic reactions of hydrocarbons for the benchmarking of computational methods: The performance of ab initio, density functional, CASSCF, CASPT2, and CBS-QB3 methods for the prediction of activation barriers, reaction energetics, and transition state geometries
Guner V, Khuong KS, Leach AG, Lee PS, Bartberger MD, Houk KN
Journal of Physical Chemistry A, 107(51), 11445, 2003
5 Intramolecular cycloadditions of cyclobutadiene with olefins (vol 124, pg 14748, 2002)
Limanto J, Tallarico JA, Porter JR, Khuong KS, Houk KN, Snapper ML
Journal of the American Chemical Society, 125(21), 6595, 2003
6 One-bond, two-bond, and three-bond mechanisms in thermal deazetizations of 2,3-diazabicyclo[2.2.2]oct-2-enes, trans-azomethane, and 2,3-diazabicyclo[2.2.1]hept-2-ene
Khuong KS, Houk KN
Journal of the American Chemical Society, 125(48), 14867, 2003
7 Intramolecular cycloadditions of cyclobutadiene with dienes: Experimental and computational studies of the competing (2+2) and (4+2) modes of reaction
Limanto J, Khuong KS, Houk KN, Snapper ML
Journal of the American Chemical Society, 125(52), 16310, 2003
8 Intramolecular cycloadditions of cyclobutadiene with olefins
Limanto J, Tallarico JA, Porter JR, Khuong KS, Houk KN, Snapper ML
Journal of the American Chemical Society, 124(49), 14748, 2002