【摘 要】
：
Density functional theory B3LYP is employed to obtain the optimized geometries of the ground state and interaction energy for triazines and water complexes. The
【机 构】
：
CollegeofChemistry
【基金项目】
：
四川省自然科学基金;四川省教育厅资助项目
论文部分内容阅读
Density functional theory B3LYP is employed to obtain the optimized geometries of the ground state and interaction energy for triazines and water complexes. The results show that the 1,2,3-triazine-water, 1,2,4-triazine-water and 1,3,5-triazine-water comp
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