Patrick H-L Sit

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 4

Top Topics

Density Functional Theory

Walled Carbon Nanotubes

Transition Metal

Electron Transfer

Top Venues

Journal of physics. Condensed matter : an Institute of Physics journal

ACS applied materials & interfaces

The journal of physical chemistry. A

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Bo Gong, Calvin Ku, Han-Qing Yu, Patrick H-L Sit
Predicting the Mechanisms for H 2 O 2 Activation and Phenol Oxidation Catalyzed by Modified Graphene-Based Systems Using Density Functional Theory. ACS applied materials & interfaces 14 (31) (2022)
Calvin Ku, Patrick H-L Sit
Evaluation of optical band gaps and dopant state energies in transition metal oxides using oxidation-state constrained density functional theory. Journal of physics. Condensed matter : an Institute of Physics journal 33 (36) (2021)
Calvin Ku, Patrick H-L Sit
Oxidation-State Constrained Density Functional Theory for the Study of Electron-Transfer Reactions. Journal of chemical theory and computation 15 (9) (2019)
Jinfan Chen, Patrick H-L Sit
Density Functional Theory and Car-Parrinello Molecular Dynamics Study of the Hydrogen-Producing Mechanism of the Co(dmgBF2)2 and Co(dmgH)2 Cobaloxime Complexes in Acetonitrile-Water Solvent. The journal of physical chemistry. A 121 (18) (2017)