摘要
在“计算机与应用化学”的课堂教学中借助Gaussian软件阐明3种不同端基的丙氨酸二肽和氮化石墨烯分子间存在的氢键作用。通过对原子间距、电荷分布与静电势的分析,引导学生认识氢键形成的机制,加深其对氢键本质的理解,致力于培养跨学科综合型创新人才。
Gaussian software was introduced for the demonstration of inter-molecular hydro-gen bonding interactions between alanine dipeptide(with three different terminal groups)and ni-trogenated graphene in class teaching of"Computers and Applied Chemistry"course.The ob-tained atomic distances,charge distributions and electrostatic potentials show the forming mecha-nism of hydrogen bond to students,enhance their understanding about the nature of hydrogen bond,and thus cultivate inter-disciplinary and innovative talents.
作者
何佳妮
郑舒琳
钟容臻
蔡开聪
HE Jia-Ni;ZHENG Shu-Lin;ZHONG Rong-Zhen;CAI Kai-Cong(Fujian Normal University,College of Chemistry and Materials Science,Fujian Provincial Key Laboratory of Advanced Materials Oriented Chemical Engineering,Fuzhou 350117,China;Xiamen University,Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry,Xiamen 361005,China)
出处
《化学教育（中英文）》
CAS
北大核心
2024年第2期121-126,共6页
Chinese Journal of Chemical Education
基金
中国化学会化学教育学科委员会基础教育“十四五”规划2022年度课题(HJ2022-0009)
福建师范大学教学改革研究项目(I202201108)
福建师范大学大学生创新创业训练计划(s202210394017)。
关键词
Gaussian软件
氢键
电荷分布
静电势
Gaussian software
hydrogen bond
charge distribution
electrostatic potential
