Alexis T Bell

发表

Efficient exploration of reaction paths via a freezing string method.

Paul M Zimmerman, Martin Head-Gordon, Andrew Behn, 2011, The Journal of chemical physics.

Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites.

Paul M Zimmerman, Martin Head-Gordon, Alexis T Bell, 2011, Journal of chemical theory and computation.

In situ UV-visible spectroscopic measurements of kinetic parameters and active sites for catalytic oxidation of alkanes on vanadium oxides.

Alexis T Bell, Enrique Iglesia, A. Bell, 2005, The journal of physical chemistry. B.

Rate constants from the reaction path Hamiltonian. II. Nonseparable semiclassical transition state theory.

Baron Peters, Alexis T Bell, A. Chakraborty, 2004, The Journal of chemical physics.

Rate constants from the reaction path Hamiltonian. I. Reactive flux simulations for dynamically correct rates.

Baron Peters, Alexis T Bell, A. Chakraborty, 2004, The Journal of chemical physics.

A density functional theory study of the mechanism of free radical generation in the system vanadate/PCA/H2O2.

Martin Head-Gordon, Alexis T Bell, Rustam Z Khaliullin, 2005, The journal of physical chemistry. B.

Oxidative dehydrogenation of propane over V2O5/MoO3/Al2O3 and V2O5/Cr2O3/Al2O3: structural characterization and catalytic function.

Alexis T Bell, Enrique Iglesia, A. Bell, 2005, The journal of physical chemistry. B.

Comparison of cobalt-based nanoparticles as electrocatalysts for water oxidation.

Alexis T Bell, A. Bell, P. Ross, 2011, ChemSusChem.

Electron donation in the water-water hydrogen bond.

Martin Head-Gordon, Alexis T Bell, Rustam Z Khaliullin, 2009, Chemistry.

A finite difference Davidson procedure to sidestep full ab initio hessian calculation: application to characterization of stationary points and transition state searches.

Martin Head-Gordon, Alexis T Bell, M. Head‐Gordon, 2014, The Journal of chemical physics.

Effects of temperature and gas-liquid mass transfer on the operation of small electrochemical cells for the quantitative evaluation of CO2 reduction electrocatalysts.

Alexis T Bell, A. Bell, Meenesh R. Singh, 2016, Physical chemistry chemical physics : PCCP.

Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals.

Rustam Z. Khaliullin, Martin Head-Gordon, Alexis T Bell, 2008, The Journal of chemical physics.

Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water.

Jens K Nørskov, Alexis T Bell, Michal Bajdich, 2013, Journal of the American Chemical Society.

An efficient self-consistent field method for large systems of weakly interacting components.

Rustam Z. Khaliullin, Martin Head-Gordon, Alexis T Bell, 2006, The Journal of chemical physics.

Calibration of the DFT/GGA+U Method for Determination of Reduction Energies for Transition and Rare Earth Metal Oxides of Ti, V, Mo, and Ce.

Alexis T Bell, A. Bell, V. Shapovalov, 2011, Journal of chemical theory and computation.

Viscosities of the mixtures of 1-ethyl-3-methylimidazolium chloride with water, acetonitrile and glucose: a molecular dynamics simulation and experimental study.

Zhiping Liu, Berend Smit, Mandan Chidambaram, 2010, The journal of physical chemistry. B.

Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5.

Andreas Heyden, Baron Peters, Alexis T Bell, 2005, The journal of physical chemistry. B.

Transition state-finding strategies for use with the growing string method.

Anthony Goodrow, Martin Head-Gordon, Alexis T Bell, 2009, The Journal of chemical physics.

The role of lattice oxygen in the oxidative dehydrogenation of ethane on alumina-supported vanadium oxide.

Reinhard Schomäcker, Alexis T Bell, R. Schomäcker, 2009, Physical chemistry chemical physics : PCCP.

The role of hydrogen during Pt-Ga nanocatalyst formation.

Gustaaf Van Tendeloo, Alexis T Bell, Stuart Turner, 2016, Physical Chemistry, Chemical Physics - PCCP.

Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?

Berend Smit, Alexis T Bell, B. Smit, 2009, The Journal of chemical physics.

Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO₂.

Alexis T Bell, A. Bell, Meenesh R. Singh, 2015, Analytical chemistry.

Identification of highly active Fe sites in (Ni,Fe)OOH for electrocatalytic water splitting.

Jens K Nørskov, Ryan C. Davis, Tsu-Chien Weng, 2015, Journal of the American Chemical Society.

Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI.

Paul M Zimmerman, Martin Head-Gordon, Alexis T Bell, 2012, Journal of the American Chemical Society.

Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: a comprehensive DFT study.

Andreas Heyden, Alexis T Bell, A. Bell, 2006, The journal of physical chemistry. B.

A study of the redox properties of MoOx/SiO2.

Alexis T Bell, A. Bell, Nicholas Ohler, 2005, The journal of physical chemistry. B.

Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals.

Rustam Z. Khaliullin, Martin Head-Gordon, Alexis T Bell, 2007, The journal of physical chemistry. A.

Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules.

Martin Head-Gordon, Alexis T Bell, Yi-Pei Li, 2016, Journal of chemical theory and computation.