卤素阴离子与氨分子复合物分子间氢键的密度泛函理论研究_英文_.-Halogen anion complexes with the ammonia molecule hydrogen bonds between molecules Density Functional Theory Study English _ _.

蒙特卡洛方法模拟氢分子在激光场下的运动，，，，，(Monte Carlo simulation of the motion of hydrogen molecules in a laser field)

在materials studio软件统计分子间的氢键数脚本。。。(Statistical hydrogen bond number)