Benjamin Rudshteyn

12PUBLICATIONS
16CO-AUTHORS
Theoretical quantum chemistryReaction kinetics and dynamicsMain group metal chemistryProcess control and simulationCatalysis and mechanisms of reactions
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Publications (12)

|Apr 04, 2022
Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals.

Benjamin Rudshteyn, John L Weber, Dilek Coskun

|May 21, 2020
Multiple Stable Isoprene-Ozone Complexes Reveal Complex Entrance Channel Dynamics in the Isoprene + Ozone Reaction.

Manoj Kumar, James Shee, Benjamin Rudshteyn

|Apr 16, 2020
Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo.

Benjamin Rudshteyn, Dilek Coskun, John L Weber

|Mar 10, 2020
Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations.

Guangqi Li, Benjamin Rudshteyn, James Shee

|May 07, 2019
Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations.

Aimin Ge, Benjamin Rudshteyn, Pablo E Videla

|Mar 19, 2019
On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules.

James Shee, Benjamin Rudshteyn, Evan J Arthur

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Frequent Collaborators

7 joint publications

Victor S Batista

5 joint publications

James Shee

3 joint publications

Aimin Ge

3 joint publications

Tianquan Lian