Substituting density functional theory in reaction barrier calculations for h...

Hydrogen atom transfer (HAT) reactions are important in many biological systems. As these reactions are hard to observe experimentally, it is of high interest to shed light on...氢原子转移（Hydrogen atom transfer, HAT）反应在众多生物系统中具有重要意义。由于此类反应难以通过实验手段观测，阐明其相关机理具有极高的研究价值……