- Competing Isomerizations: A Combined Experimental/Theoretical Study of Phenylpentenone Isomerism
- The heat of formation of NC0 Allan L. L. Easta) and Wesley D. Allen
- Interlocking Triplet Electronic States of Isocyanic Acid: Sources of Nonadiabatic Photofragmentation Dynamics
- The kinkiness of cumulenones: H2C3O, H2C4O, and H2C5O Allan L. L. East
- pKa Values of Some Piperazines at (298, 303, 313, and 323) K Farhad Khalili,
- The anharmonic force field and equilibrium molecular structure of ketene Allan L. L. East and Wesley D. Allen
- Computational Study of Tungsten(II)-Catalyzed Rearrangements of Norbornadiene
- Supercomputer comparison test Parallelism tests on Dextrose Gaussian03 MP2 OPT, %nproc=2, 1,3-diphenylpropane
- Toluene internal-rotation: Measurement and simulation of the high-resolution S1 S0 fluorescence excitation spectrum at 0.5 K
- Comment on "High-Level ab Initio and Density Functional Study of the CH + NO Reaction
- Conformational Geometries and Conformation-Dependent Photophysics of Jet-Cooled 1,3-Diphenylpropane
- Naphthalene dimer: Electronic states, excimers, and triplet decay Allan L. L. Easta)
- Properties of C-C Bonds in n-Alkanes: Relevance to Cracking Mechanisms Ken C. Hunter and Allan L. L. East*
- Polyyne bending frequencies: why they vary with the square of the harmonic in the infinite limit
- Catalyzed scission of a carbenium ion --Mechanistic differences from varying catalyst
- Mechanism of Cis/Trans Equilibration of Alkenes via Iodine Catalysis Steven S. Hepperle, Qingbin Li, and Allan L. L. East*
- Improved results for the excited states of nitric oxide, including the B/C avoided crossing
- Carbocation Branching Observed in a Simulation A. L. L. East,*, T. Bucko, and J. Hafner
- On the structure and dynamics of secondary n-alkyl cations Allan L. L. East,1,a
- Published: April 28, 2011 r 2011 American Chemical Society 4951 dx.doi.org/10.1021/jp110918z |J. Phys. Chem. A 2011, 115, 49514958
- Entropy contributions in pKa computation: Application to alkanolamines and piperazines
- Characterization of the i `A' state of isocyanic acid Allan L. L. East, Christopher S. Johnson, and Wesley D. Allen
- Geometry and torsional energies of a CC-protonated n-alkane Qingbin Li, Ken C. Hunter, Christa Seitz, and Allan L. L. East
- The [FHCI]-molecular anion: Structural aspects, global surface, and vibrational eigenspectrum
- The proton-transfer surface of @H30HF-Brian D. Wladkowski,a) Allan L. L. East,b) Jennifer E. Mihalick,c) Wesley D. Alien,
- A Theoretical Comparison of Lewis Acid vs Bronsted Acid Catalysis for n-Hexane f Propane + Propene
- Entropies and Free Energies of Protonation and Proton-Transfer Allan L. L. East,1a,b Brian J. Smith,1a,c and Leo Radom*,1a
- The 16 valence electronic states of nitric oxide dimer ,,NO...2 Allan L. L. East
- Ab initio statistical thermodynamical models for the computation of third-law entropies
- Short-Range Order in Liquid Aluminum Chloride: Ab Initio Molecular Dynamics Simulations and Quantum-Chemical Calculations
- A high level ab initio map and direct statistical treatment of the fragmentation of singlet ketene
- Femtosecond Multidimensional Imaging of a Molecular Dissociation
- A first principles theoretical determination of the rate constant for the dissociation of singlet ketene
- pubs.acs.org/Organometallics Published on Web 12/22/2009 r 2009 American Chemical Society 484 Organometallics 2010, 29, 484490
- The intermolecular vibrations of the NO dimer A. L. L. East, A. R. W. McKellar, and J. K. G. Watson
- A Mechanistic Study of the Brnsted-Acid Catalysis of n-Hexane f Propane + Propene, Featuring Carbonium Ions
- Length and Substituent-Scrambling Energies of Parent and Halogen-Substituted Conjugated Polyynes
- Nitrous oxide dimer: An ab initio coupled-cluster study of isomers, interconversions, and infrared fundamental bands, and experimental
- Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states
- Journal of Molecular Catalysis A: Chemical 351 (2011) 143153 Contents lists available at SciVerse ScienceDirect
- The Mechanism of Permanganate Oxidation of Sulfides and Arumugam Jayaraman and Allan L. L. East*
