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- atomic orbital method 原子轨(道)函数法
- The function (1s+) is a hybridized atomic orbital. 函数(1s+)是一个杂化的原子轨道。
- atomic orbital close - coupling method 原子轨道强耦合方法
- Then, the authors firstly put forward that the electron energy of which the electron is filled ahead is larger than that for the occupied atom orbital. 提出了一个电子进入内层轨道所需的能量必须大于其进入轨道后所具备的能量的观点。
- The effects of metal ions and waters on the energy band structures of proteins have been investigated with the aid of CNDO/2 Crystal Orbital method. 本文用CNDO/2晶体轨道方法研究了金属离子和水对蛋白质能带结构的影响。
- By applying the H ckel molecular orbital method in elucidating magnetic property and polarity of ozong molecule in substance. 用休克尔分子轨道法从本质上说明了臭氧分子的磁性和极性。
- Abstract : The effects of metal ions and waters on the energy band structures of proteins have been investigated with the aid of CNDO/2 Crystal Orbital method. 摘要 ： 本文用CNDO/2晶体轨道方法研究了金属离子和水对蛋白质能带结构的影响。
- Standing wave representations such as these are called atomic orbitals. 这种驻波示意图叫做原子轨道。
- Atomic orbital electron density Self-charge, the charge kept by the atoms involved in the... 本人是新手,对MOPAC不太了解,想知道下面这几个怎么算出来,请大家帮忙!
- Atomic orbital electron density Self-charge, the charge kept by the atoms involved in the bond Active charge, the charge not inv... 本人是新手,对MOPAC不太了解,想知道下面这几个怎么算出来,请大家帮忙!
- Studying of Theory of Hybrid Atomic Orbital 杂化轨道理论的探讨
- self-consistent field molecular orbital method 自洽场分子轨道法
- linear combination of atomic orbital 原子轨道的线性组合
- Gauge-independent atomic orbital 规范不变原子轨道
- The method seems good but it needs to be tried out. 这个方法似乎不错，但需要试验一下。
- Through a projection of the DM onto atomic orbitals and a subsequent O(N) orthogonalization, we obtain initial orthogonal localized orbitals. 通过与密度矩阵纯化方法或基于局域轨道的线性标度算法连用，它是极好的在自恰的密度泛函理论框架下计算前线轨道的能量及波函数的方法。
- extended Huckel molecular orbital method [化] 推广的休克尔分子轨道法
- non-paired spatial orbital method 非成对空间轨道法
- semiempirical molecular orbital method 半经验分子轨道法
- Huckel's molecular orbital method [化] 休克尔分子轨道法
