摘要
分子轨道理论是学生在学习无机化学过程较难理解和掌握的内容,文章使用gaussian和multiwfn软件对分子轨道成分和键级的计算,绘制了分子轨道能级图,并将这部分内容形象直观地呈现出来,有利于增加学生学习的主动性和积极性,提高教学质量。
The molecular orbital theory is vital importance and one of the difficulties for both students and teachers. It is that the molecular orbital composition analysis and bond order analysis were calculated with the Gaussian 09 packages and the Multiwfn code. Energy levels of diatomic molecules is displayed in the figure. It is beneficial to improve the activity of students in their study, to inspire their passion to learn. The practical application indicates that it plays an active role in improving teaching quality.
出处
《广东化工》
CAS
2013年第20期69-70,共2页
Guangdong Chemical Industry
基金
贵州省科技厅联合基金(No.LKB[2013]19)
毕节学院教学研究改革课题(JG201114)
