[A1456-3vn] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

4:35 PM - 4:55 PM JST(7:35 AM - 7:55 AM UTC)Japanese

[A1456-3vn-03] Benchmark Calculation for the Climbing Image Nudged Elastic Stiffness Band with Energy Weighted Method for the Optimization of Transition States of Chemical Reactions

○Yuki Mitsuta^1,2, Toshio Asada^1,2 (1. Osaka Metropolitan Univ., 2. RIMED, Osaka Metropolitan Univ.)

Keywords:

Calculation of Quantum Chemistry,Optimization of Reaction Paths,Nudged Elastic Band Method