DFT-Density Functional Theory的意思|示意

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dft -密度泛函理论

DFT-Density Functional Theory的网络常见释义

理论 ...，由测得的吸附等温线采用BET法计算比外表积，应用基于多孔固体上吸附氮分子模型的密度函数理论(DFT-Density Functional Theory)剖析得到PSAC的孔径散布及相应孔容[12, 13]。

DFT-Density Functional Theory相关短语

1、 dft density functional theory 密度泛函理论

2、 DFT density-functional theory 密度泛函

3、 density-functional theory dft 密度泛函理论

DFT-Density Functional Theory相关例句

The reaction of HNO with o radical was investigated by density functional theory (DFT) and ab initio methods.

用密度泛函理论(DFT)和从头算方法，对HNO与O自由基反应进行了研究。

The density profile of hard sphere fluid confined in two parallel hard walls was studied by using Rosenfeld density Functional Theory (DFT) and Molecular Dynamics (MD) simulation method.

利用密度泛函理论和分子动力学方法，对处于两平行硬墙之间的硬球流体的密度分布进行了计算。

Density functional theory (DFT) of quantum chemistry was briefly introduced.

简要介绍了量子化学中的密度泛函理论。

The density functional theory (DFT) is used to describe the perpendicular phase separation of binary mixed polymer brush grafted on a surface immersing in different solvents.

采用加权密度近似密度泛函理论研究了二元混合接枝高分子刷在不同性质溶剂诱导下的垂直相分离情况。

Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.

利用分子轨道从头算理论和密度泛函理论结合不同理论基组对于N - H…O蓝移氢键进行了详细的研究。

With the rapid development of computer technology, Density Functional Theory (DFT) is widely used to research the molecule's structure and properties day by day.

随着电子计算机技术的飞速发展，密度泛涵理论(DFT)方法在研究分子的结构与性能方面的应用日益广泛。