Year |
Citation |
Score |
2005 |
Caramella P, Quadrelli P, Toma L, Romano S, Khuong KS, Northrop B, Houk KN. The three corrugated surfaces of 1,4-divinyltetramethylene diradical intermediates and their connections to 1,2-divinylcyclobutane, 4-vinylcyclohexene, 1,5-cyclooctadiene, and two butadienes. The Journal of Organic Chemistry. 70: 2994-3008. PMID 15822958 DOI: 10.1021/Jo0501947 |
0.391 |
|
2005 |
Khuong KS, Beaudry CM, Trauner D, Houk KN. Dienophile twisting and substituent effects influence reaction rates of intramolecular Diels-Alder cycloadditions: a DFT study. Journal of the American Chemical Society. 127: 3688-9. PMID 15771490 DOI: 10.1021/Ja050135A |
0.51 |
|
2005 |
Khuong KS, Jones WH, Pryor WA, Houk KN. The mechanism of the self-initiated thermal polymerization of styrene. Theoretical solution of a classic problem. Journal of the American Chemical Society. 127: 1265-77. PMID 15669866 DOI: 10.1021/Ja0448667 |
0.437 |
|
2004 |
Guner VA, Khuong KS, Houk KN, Chuma A, Pulay P. The Performance of the Handy/Cohen Functionals, OLYP and O3LYP, for the Computation of Hydrocarbon Pericyclic Reaction Activation Barriers Journal of Physical Chemistry A. 108: 2959-2965. DOI: 10.1021/Jp0369286 |
0.498 |
|
2003 |
Limanto J, Khuong KS, Houk KN, Snapper ML. Intramolecular cycloadditions of cyclobutadiene with dienes: experimental and computational studies of the competing (2 + 2) and (4 + 2) modes of reaction. Journal of the American Chemical Society. 125: 16310-21. PMID 14692772 DOI: 10.1021/Ja0380547 |
0.522 |
|
2003 |
Khuong KS, Houk KN. 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. Journal of the American Chemical Society. 125: 14867-83. PMID 14640664 DOI: 10.1021/Ja038198L |
0.417 |
|
2003 |
Khaledy MM, Kalani MY, Khuong KS, Houk KN, Aviyente V, Neier R, Soldermann N, Velker J. Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study. The Journal of Organic Chemistry. 68: 572-7. PMID 12530884 DOI: 10.1021/Jo020595B |
0.497 |
|
2003 |
Guner V, Khuong KS, Leach AG, Lee PS, Bartberger MD, Houk KN. 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 Journal of Physical Chemistry A. 107: 11445-11459. DOI: 10.1021/Jp035501W |
0.528 |
|
2002 |
Limanto J, Tallarico JA, Porter JR, Khuong KS, Houk KN, Snapper ML. Intramolecular cycloadditions of cyclobutadiene with olefins. Journal of the American Chemical Society. 124: 14748-58. PMID 12465988 DOI: 10.1021/Ja0203162 |
0.52 |
|
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