In order to simulate the quantum dynamics in natural photosynthesis and artificial photovoltaic technologies,we have developed a hierarchy of forward-backwa
We have studied the reaction mechanism of CO oxidation on the Cu13 cluster via density functional theory.There are two main reaction pathways to be consider
One longstanding puzzle concerning photosystem II,a core component of photosynthesis,is that only one of the two symmetric branches in its reaction centre i
The ZSM-12 zeolite has 12-membered ring,which belongs to the MTW-type1.Due to its exceptional pore structure and acid property,the ZSM-12 zeolite is conside
Precise structure information is key to understand the intrinsic properties of nanomaterials.Global optimization has proven to be a useful technique for str