Computational chemistry

Cardiff Research Areas»Engineering and Physical Sciences»Tools technologies and methods»Tools for the biosciences

Subordinate Areas

Projects

Related Datasets

2 of 4

Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data - Ramogayana B, Santos Carballal D, Aparicio Sanchez P, et al. (2019). Cardiff University. 10.17035/d.2019.0085116020. Lithium-Ion batteries Computational chemistry Materials Sciences Catalyst Surface Reactivity

First-principles DFT Insights into the Adsorption of Hydrazine on Bimetallic β1-NiZn Catalyst: Implications for Direct Hydrazine Fuel Cells - data - Cross RW, Rondiya SR, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0115779666. Computational chemistry

Individual adsorption of arsenate and phosphate species on the magnetite Fe₃O₄(001) surface - data - Santos-Carballal D, de Leeuw NH (2021). Cardiff University. 10.17035/d.2019.0081529534. Computational chemistry Materials sciences

Mechanistic study of the hydrazine decomposition on Ir(111) - data - Lu X, Francis S, Motta D, et al. (2020). Cardiff University. 10.17035/d.2019.0087115515. Green Catalytic Technologies Thermodynamics Computational chemistry

Modulation of the Gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study - data - Faulkner C, Plant DF, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0080928584. Computational chemistry Ion Channels and Transporters

Share link

Last updated on 2015-10-11 at 12:54