filtei.bsky.social @filtei.bsky.social · 15/12/2024Interesting stuff. Thanks for indulging this curiosity of mine. 000
filtei.bsky.social @filtei.bsky.social · 15/12/2024I wonder how the results vary with the amount of kinetic energy at the beginning of the simulation (i.e. initial velocities). 100
Reposted by @filtei.bsky.socialXin@QuantumChem @xinquantum.bsky.social · 22/11/2024Simulation of a violent collision between two molecules. How many reactions can you find? Simulation using GFN2-xTB. On a preowned desktop computer. It takes about 20 minutes. #compchem #Chemistry #computing 5202
