Abstract
The binding of 1-propanol to neutral and singly charged tungsten oxide seed particles was studied using quantum chemical methods. Three different density functionals and three basis sets were employed, and the results were compared with each other as well as with results previously published by other groups. Our results implicate a positive sign preference for all studied tungsten oxide species. Molecular structures obtained for pure tungsten oxide show good agreement with previous results.
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.