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- HF分子HF molecule
- 有限差分法計算HF分子的振動(dòng)能級和光譜Computing Vibrational Energy Eigenvalues and Spectra of HF System by Finite Difference Method
- 用BFW勢函數擬合在CCSD(T)/aug-cc-pVQZ理論水平下計算的He-HF相互作用能數據,獲得了He原子與HF分子相互作用的各向異性勢,并與已知的勢模型進(jìn)行比較,驗證了擬合勢的可靠性;An anisotropic intermolecular potential of the He-HF complex has been obtained by utilizing the BFW analytic function to fit the intermolecular energy data,which have been calculated at the theoretical level of the single and double excitation coupled-cluster method with noniteractive perturbation treatment of triple excitation CCSD(T). The reliability of the fitted potential has been verified by comparing it with the ones that were familiar to us.
- (HF)n體系是典型的氫鍵體系,本論文中在MP2和B3LYP水平上, 使用aug-cc-pVDZ基組對(HF)n (n=1~10)折線(xiàn)型體系的幾何結構進(jìn)行了優(yōu)化, 得出的HF分子簇的幾何參數趨近于晶體結構結果.By means of ab inito calculations of MP2/aug-cc-pVDZ and B3LYP/aug-cc-pVDZ methods, the optimized geometries of the (HF)n (n=1~10) are obtained. The (HF)n structure is approach to HF chainconfiguration in crystal, when number of the HF molecule is large.
- 政府軍已經(jīng)擊敗了叛亂分子。Government troops have vanquished the rebels.
- 這顆炸彈是右翼極端分子放置的。The bomb was planted by right-wing extremists.
- HF株HF strain
- 一群左翼分子接管了領(lǐng)事館。A band of leftists took over the consulate.
- HF酸HF acid
- 政府決不與恐怖分子談判。The government will not negotiate with the terrorists.
- HF法HF method
- 他們的注意力集中在那個(gè)可疑分子身上。They zeroed in on the suspicious man.
- HF酸法UOP dehydrogenation method
- 分子由原子組成。A molecule is made up of atoms.
- Zr/Hf值Zr/Hf ratios
- 他曾是政治上的激進(jìn)分子。He was a political radical.
- Hf元素element Hf
- 政府計劃鎮壓叛亂分子。The government planned the subjection of the rebels.
- Hf薄膜hafnium film
- 反叛分子武裝自己對抗政府。The rebels armed themselves against the government.