Abstract
The consistent charge equilibration (CQEq) method is applied to guanidinium chloride ionic liquid systems. The QEq parameters are optimized for methyl substituted guanidinium chlorides to represent the atomic charges by quantum chemical calculations with six atom types for H, C, N and Cl atoms. The atomic charges and optimized structural parameters are compared with quantum chemical calculations.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.