Revision C Gaussian Inc. / Amoco / J.A.S. / Chem Systems / /
Country
Thailand / / /
Facility
Research and Development Institute / Kasetsart University / Kasetsart University Research and Development Institute / / /
IndustryTerm
active site / large systems / energy barrier / predicted energy barrier / perpendicular 12MR channel systems / energy profiles / perpendicular 12T channel systems / chemical bond / energy profile / adsorption energy / diffusional energy barrier / activation energy / chemical kinetics parameter / calculated binding energy / /
Organization
Faculty of Science / Commission on Higher Education / National Science and Technology Development Agency / National Nanotechnology Center / Kasetsart University Research and Development Institute / Kasetsart University Graduate School / Laboratory for Computational and Applied Chemistry / Thailand Research Fund / NANOTEC Center of Excellence / Research and Development Institute / Ministry of Education / Kasetsart University / Bangkok / Chemistry Department / /
Person
Yan Zhao / Donald G. Truhlar / Karan Bobuatong / / /
A Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic Beta Zeolite: An ONIOM Study with a Newly Developed Density Functional Theory Chawanwit Kumsapaya a,b, Karan Bobuatong a,b,