C. Doubleday

发表

Dynamics of 1,3-dipolar cycloaddition reactions of diazonium betaines to acetylene and ethylene: bending vibrations facilitate reaction.

K. Houk, Lai Xu, C. Doubleday, 2009, Angewandte Chemie.

Computational evidence for heavy-atom tunneling in the bergman cyclization of a 10-membered-ring enediyne.

C. Doubleday, Edyta M. Greer, C. V. Cosgriff, 2013, Journal of the American Chemical Society.

Computational Evidence for Tunneling and a Hidden Intermediate in the Biosynthesis of Tetrahydrocannabinol.

C. Doubleday, A. Greer, Edyta M. Greer, 2022, Journal of the American Chemical Society.

Dynamic control of dichlorocarbene addition to cyclopropene

C. Doubleday, D. C. Merrer, 2011 .

Direct Dynamics Quasiclassical Trajectory Study of the Stereochemistry of the Vinylcyclopropane−Cyclopentene Rearrangement

K. Houk, C. Doubleday, M. Page, 1999 .

Mechanism of the Vinylcyclopropane−Cyclopentene Rearrangement Studied by Quasiclassical Direct Dynamics

C. Doubleday, 2001 .

UV-vis absorption studies of singlet to triplet intersystem crossing rates of aromatic ketones: effects of molecular geometry

N. Turro, C. Doubleday, H. Staab, 1994 .

Theory of chemically induced nuclear spin polarization. IV. Spectra of radical coupling products derived from photoexcited ketones and aldehydes

C. Doubleday, D. R. Paulson, G. Closs, 1970 .

Thermally activated tunneling in organic reactions

C. Doubleday, A. Greer, Edyta M. Greer, 2016 .

TETRAMETHYLENE LIFETIMES PREDICTED BY MICROCANONICAL VARIATIONAL UNIMOLECULAR RATE THEORY

C. Doubleday, 1995 .

Time-resolved flash spectroscopic investigations of the reactions of singlet arylhalocarbenes

I. Gould, C. Doubleday, R. Moss, 1985 .

Molecular dynamics of the Diels-Alder reactions of tetrazines with alkenes and N2 extrusions from adducts.

K. Houk, C. Doubleday, G. Jiménez‐Osés, 2015, Journal of the American Chemical Society.

Heavy-Atom Tunneling Calculations in Thirteen Organic Reactions: Tunneling Contributions are Substantial, and Bell's Formula Closely Approximates Multidimensional Tunneling at ≥250 K.

C. Doubleday, Edyta M. Greer, C. Cosgriff, 2017, Angewandte Chemie.

Theory of divalent main group H2 activation: electronics and quasiclassical trajectories.

C. Doubleday, D. Ess, Deepa Devarajan, 2013, Inorganic chemistry.

Photochemistry of 2-phenylcyclanones. Formation of cyclophanes and encapsulation by a ship-in-bottle and by a reptation strategy.

N. Turro, C. Doubleday, M. Zimmt, 1986, Journal of the American Chemical Society.

Isomerisation of deuterated cyclopropanes : The possibility for stereochemical control

C. Doubleday, W. Hase, K. Bolton, 1997 .

Evidence for tunneling in base-catalyzed isomerization of glyceraldehyde to dihydroxyacetone by hydride shift under formose conditions

C. Doubleday, Liang Cheng, R. Breslow, 2015, Proceedings of the National Academy of Sciences.

Hindered photoisomerization of stilbene at the liquid-solid interface: An illustration of coupled adsorption-reaction problems for physisorbed molecules

C. Doubleday, T. W. Scott, Jing Liu, 1990 .

Dynamics of carbene cycloadditions.

K. Houk, Lai Xu, C. Doubleday, 2011, Journal of the American Chemical Society.

Energetics, transition states, and intrinsic reaction coordinates for reactions associated with O(3P) processing of hydrocarbon materials.

C. Doubleday, T. Yan, W. Hase, 2004, The Journal of chemical physics.

DIRECT DYNAMICS SIMULATION OF THE LIFETIME OF TRIMETHYLENE

William L. Hase, Kim Bolton, Gilles H. Peslherbe, 1996 .

Trajectory Calculations for Bergman Cyclization Predict H/D Kinetic Isotope Effects Due to Nonstatistical Dynamics in the Product.

C. Doubleday, Caronae Howell, David Shaked, 2016, Journal of the American Chemical Society.

Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition

K. Houk, C. Doubleday, Song Yang, 2018, Proceedings of the National Academy of Sciences.

Dynamics of the biradical mediating vinylcyclopropane–cyclopentene rearrangement

C. Doubleday, W. Hase, Guosheng Li, 2002 .

Dynamics, transition states, and timing of bond formation in Diels–Alder reactions

K. Houk, Lai Xu, C. Doubleday, 2012, Proceedings of the National Academy of Sciences.

Direct Dynamics Study of the Stereomutation of Cyclopropane

C. Doubleday, W. Hase, K. Bolton, 1997 .

Direct Dynamics Quasiclassical Trajectory Study of the Thermal Stereomutations of Cyclopropane

C. Doubleday, W. Hase, K. Bolton, 1998 .

A QM/MM Direct Dynamics Trajectory Investigation of Trimethylene Decomposition in an Argon Bath

William L. Hase, Kim Bolton, C. Doubleday, 1999 .

Determination of the average singlet-triplet splitting in biradicals by measurement of the magnetic field dependence of CIDNP [chemically induced dynamic nuclear polarization]

C. Doubleday, G. Closs, 1973 .

Chemically induced dynamic nuclear spin polarization derived from biradicals generated by photochemical cleavage of cyclic ketones, and the observation of a solvent effect on signal intensities

C. Doubleday, G. Closs, 1972 .

QM/MM Protocol for Direct Molecular Dynamics of Chemical Reactions in Solution: The Water-Accelerated Diels-Alder Reaction.

K. Houk, C. Doubleday, Zhongyue Yang, 2015, Journal of chemical theory and computation.

Picosecond photolysis of azo compounds in liquid alkanes: germinate recombination kinetics for polyatomic free radical pairs

C. Doubleday, T. W. Scott, 1991 .

Dynamics of the degenerate rearrangement of bicyclo[3.1.0]hex-2-ene.

K. Houk, C. Doubleday, Christopher P. Suhrada, 2006, Journal of the American Chemical Society.

Dynamics of 1,3-dipolar cycloadditions: energy partitioning of reactants and quantitation of synchronicity.

K. Houk, Lai Xu, C. Doubleday, 2010, Journal of the American Chemical Society.