| 1 |
Trajectory Calculations for Bergman Cyclization Predict H/D Kinetic Isotope Effects Due to Nonstatistical Dynamics in the Product
Doubleday C, Boguslav M, Howell C, Korotkin SD, Shaked D
Journal of the American Chemical Society, 138(24), 7476, 2016 |
| 2 |
Molecular Dynamics of the Diels-Alder Reactions of Tetrazines with Alkenes and N-2 Extrusions from Adducts
Tork L, Jimenez-Oses G, Doubleday C, Liu F, Houk KN
Journal of the American Chemical Society, 137(14), 4749, 2015 |
| 3 |
Computational Evidence for Heavy-Atom Tunneling in the Bergman Cyclization of a 10-Membered-Ring Enediyne
Greer EM, Cosgriff CV, Doubleday C
Journal of the American Chemical Society, 135(28), 10194, 2013 |
| 4 |
Dynamics of the degenerate rearrangement of bicyclo[3.1.0]hex-2-ene
Doubleday C, Suhrada CP, Houk KN
Journal of the American Chemical Society, 128(1), 90, 2006 |
| 5 |
Energetics, transition states, and intrinsic reaction coordinates for reactions associated with O(P-3) processing of hydrocarbon materials
Yan TY, Hase WL, Doubleday C
Journal of Chemical Physics, 120(19), 9253, 2004 |
| 6 |
A PM3-SRP plus analytic function potential energy surface model for O(P-3) reactions with alkanes. Application to O(P-3) plus ethane
Yan TY, Doubleday C, Hase WL
Journal of Physical Chemistry A, 108(45), 9863, 2004 |
| 7 |
Mechanism of the vinylcyclopropane-cyclopentene rearrangement studied by quasiclassical direct dynamics
Doubleday C
Journal of Physical Chemistry A, 105(26), 6333, 2001 |
| 8 |
A QM/MM direct dynamics trajectory investigation of trimethylene decomposition in an argon bath
Bolton K, Hase WL, Doubleday C
Journal of Physical Chemistry B, 103(18), 3691, 1999 |
| 9 |
Direct dynamics quasiclassical trajectory study of the stereochemistry of the vinylcyclopropane-cyclopentene rearrangement
Doubleday C, Nendel M, Houk KN, Thweatt D, Page M
Journal of the American Chemical Society, 121(19), 4720, 1999 |
| 10 |
Direct dynamics quasiclassical trajectory study of the thermal stereomutations of cyclopropane
Doubleday C, Bolton K, Hase WL
Journal of Physical Chemistry A, 102(21), 3648, 1998 |
