A modified dynamic lattice searching(DLS) method is developed to study on structure evolution of metal oxide clusters with increase size(n) in different proportion [the ratio of metal atoms to oxygen
Gold clusters,which display a variety of unusual geometric structures due to the strong relativistic effects,have attracted much attention.Among them,Au26 has a high-symmetry tubular structure(D6d)wit
Triel bond 是第三主族原子(triel)和Lewis 碱之间的定向吸引作用[1].虽然triel bond 的概念是在2014年提出的,但是triel 原子的缺电子特性在很久之前就已经被发现[2].Murray 等人首先发现了triel 原子上的π-hole[5].之后,人们从理论和实验两个方面对triel bond 进行了大量的研究[3-5].
DNA is considered as a programmable building block for the assembly of nanomaterials that play a significant role in modern nanotechnology and catalysis.For example,the interaction of DNA with gold cl
Alcohol dehydrogenase(ADH) catalyzes the reversible conversion of alcohol and corresponding ketone or aldehyde,with the concomitant redox of NAD(P)+/NAD(P)H cofactor.The medium-chain dehydrogenase(MDR
An effective four-dimensional(4D) ab initio potential energy surface(PES) for Xe–CS2 which explicitly involves the intramolecular Q1 symmetric stretching and Q3 antisymmetric stretching vibrational co