MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry.
运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。
| 单词 | MNDO |
| 释义 |
MNDO
英语例句库
MNDO calculations and group theory were carried out on tetraphenyl porphyrine(TPP) to obtain its optimum molecular geometry. 运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉(H2TPP)的分子构型。
英语百科
MNDOMNDO, or Modified Neglect of Diatomic Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Diatomic Differential Overlap integral approximation. Similarly, this method replaced the earlier MINDO method. It is part of the MOPAC program and was developed in the group of Michael Dewar. It is also part of the AMPAC, GAMESS (US), PC GAMESS, GAMESS (UK), Gaussian, ORCA and CP2K programs. |
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