Work

Improved indicator algorithms for tracking a hydrated proton as a local structural defect in Grotthuss diffusion in aqueous solutions

Year: 2021

Type: article

Source: Chemical Physics Letters

DOI: 10.1016/j.cplett.2021.139121

Authors: Sahitya Talachutla, Shamik Bhat, Adam W. Duster, Hai Lin

Institution: University of Colorado Denver

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: bronze

Funders: National Science Foundation, Camille and Henry Dreyfus Foundation, Research Corporation for Science Advancement, Research Corporation for Scientific Advancement, National Institutes of Health, University of Colorado Denver, National Institute of General Medical Sciences

Awards: G1096873349, G1374583926, Operation Mechanism of CLCF Fluoride/Proton Antiporter, G2984982072, G3226045097, Adaptive QM/MM Methods for Proton Transfer in Complex Environments, G4265880313, G7052023132

OpenAlex ID: W3205916086

FWCI: 0.546

Cites: 33

Cited by: 8

Related to: 10