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List of works by Robert A DiStasio

Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain.

scientific article published in March 2018

Competitive Adsorption as a Route to Area-Selective Deposition

scientific article published on 11 February 2020

Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes

scientific article published on 29 June 2020

Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based <i>Ab Initio</i> Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles

scientific article published on 14 November 2021

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

scientific article published on 12 March 2018

Isotope effects in liquid water via deep potential molecular dynamics

scientific article published on 15 October 2019

NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts

scientific article published in 2021

Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

scientific article published on 01 June 2018

On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions

scientific article published on 01 November 2018

Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors that Strongly Chelates Lanthanides

scientific article published on 27 March 2020

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

scientific article published on 01 July 2020

Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

scientific article published on 19 August 2019

Reliable and practical computational description of molecular crystal polymorphs

scientific article published on 11 January 2019

Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization

scientific article published in 2022

Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters

scientific article published in Nature Communications

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