Abstract
A molecular dynamics study reproducing the vibrational spectra of a series of flexible hydrocarbon molecules adsorbed in silicalite yields very satisfactory structural and diffusional data. The form selectivity appears clearly when the molecules are compared. The influence of molecular flexibility on the calculated diffusional data is not obvious. The influence of adsorption on the molecular geometry is not very important.
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 callDisclaimer: 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.
