Abstract
We present detailed theoretical studies of the proton transfer in the isolated cysteinamine and H 2 O-assisted system, employing B3LYP, Hartree-Fock (HF) and MP2 methods at the large basis set. The barrier heights for amino hydrogen atom transfer are lower than carbolic hydrogen atom transfer in all configurations, implying the much easier transfer of the amino hydrogen atom. When the H 2 O is assisted in the process, it can facilitate the proton transfer.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Zenodo (CERN European Organization for Nuclear Research)
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.
