Nickel exhibits promising catalytic activity for dissociating CO2 to CO via the reverse water-gas shift reaction or to methane through Sabatier reaction,as
The long-lived quantum coherence in photosynthesis is a fundamental phenomenon that reflects the quantum nature of microscopic biological systems and may be
Ideally,quantum mechanical/molecular mechanical methods are capable of providing reliable predictions of molecular properties in condensed phase.However,the
A number of techniques exist in explicit Monte Carlo(MC)or molecular dynamics(MD)simulations of charged particles: truncation-type methods,mean-field-type m