2 papers
astro-ph.GA2019
Ab initio Study of Ground-State CS Photodissociation Via Highly Excited Electronic States
Zhongxing Xu, Nan Luo, S. R. Federman +4
Photodissociation by ultraviolet radiation is the key destruction pathway for CS in photon-dominated regions, such as diffuse clouds. However, the large uncertainties of photodisso…
physics.chem-ph2018
Polarizable Molecular Simulations Reveal How Silicon-containing Functional Groups Govern the Desalination Mechanism in Nanoporous Graphene
Yudong Qiu, Benedict R. Schwegler, Lee-Ping Wang
We report a molecular dynamics (MD) simulation study of reverse osmosis desalination using nanoporous monolayer graphene passivated by SiH and Si(OH) functional groups. A h…