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List of works by Mal-Soon Lee

Aluminum Zintl anion moieties within sodium aluminum clusters

scientific article

Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5

Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review

scientific article published on 17 September 2020

Electrochemically Tunable Proton-Coupled Electron Transfer in Pd-Catalyzed Benzaldehyde Hydrogenation

scientific article published on 12 December 2019

Electronic structures, equilibrium geometries, and finite-temperature properties ofNan(n=39–55)from first principles

scholarly article in Physical Review B, vol. 76 no. 16, October 2007

Far-infrared absorption of water clusters by first-principles molecular dynamics

article

Finite-Temperature Effects on the Stability and Infrared Spectra of HCl(H2O)6Clusters†

scientific article published on 06 November 2007

First-principles investigation of finite-temperature behavior in small sodium clusters

scientific article published on 01 October 2005

Genesis and Stability of Hydronium Ions in Zeolite Channels

scientific article published on 15 February 2019

High-pressure polymeric phases of carbon dioxide

scholarly article

Impact of Cr and Co on 99Tc retention in magnetite: A combined study of ab initio molecular dynamics and experiments

scientific article published on 19 November 2019

Impeding (99)Tc(IV) mobility in novel waste forms.

scientific article

Microstructural Response of Variably Hydrated Ca-rich Montmorillonite to Supercritical CO2

article

Mixtures of planetary ices at extreme conditions

scientific article published in Nature Communications

Molecular Simulation of the Catalytic Regeneration of nBuLi through a Hydrometalation Route

scientific article published on 06 February 2019

Physics of bandgap formation in Cu–Sb–Se based novel thermoelectrics: the role of Sb valency and Cu d levels

scientific article published on 24 September 2012

Selective acetylene hydrogenation over single metal atoms supported on Fe3O4(001): A first-principle study

scientific article published on 01 April 2020

Structural Rearrangement of Au-Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study

scientific article published on 25 January 2017

Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations

scientific article

The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

scientific article published on 29 January 2019

The effects of electronic structure and charged state on thermodynamic properties: An ab initio molecular dynamics investigations on neutral and charged clusters of Na39, Na40, and Na41

scientific article published on 01 March 2008

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