为了更加了解精氨酸（C6H14N4O2)对Cu-BTA的作用效果，基于

For a better understanding of arginine (C6H14N4O2) on the effect of Cu-BTA, first-principles Density Functional Theory (DFT) calculated arginine quantum chemistry parameters, such as maximum and minimum gap molecular orbital level (HOMO -LUMO), molecular electrostatic potential (MEP), atomic charge, and electron density distribution. The effects of reaction behavior arginine from negative electrical, electronic ability to give and so on.

In order to better understand the effect of arginine (C6H14N4O2) on Cu-BTA, quantum chemical parameters of arginine are calculated based on the first principle density general letter theory (DFT), such as the highest and lowest space molecular orbital energy level (HOMO-LUMO), molecular electrostatic potential (MEP), Atomic charge and electron density distribution, etc. The reaction behavior of arginine was studied in terms of electronegativeity and electron giving ability.

In order to better understand the effect of arginine (C6H14N4O2) on cu-bta, the quantum chemical parameters of arginine, such as the highest and lowest vacancy molecular orbital energy levels (HOMO-LUMO), molecular electrostatic potential (MEP), atomic charge and electron density distribution, are calculated based on the first principles density functional theory (DFT). The reaction behavior of arginine was studied from the aspects of electronegativity and electron delivery ability.<br>