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- Allen and co-worker did ab initio calculation to test the adequacy of SCF MO calculations for predicting molecular equilibrium geometries. 爱伦及其同事应用从头计算法来考查SCF MO计算对于预示分子平衡几何形的适宜性。
- Equilibrium geometries and electronic structures of a number of hypermolecules formed from X_3Si~+ (X=F,H) and CO or N_2 were calculated with INDO method and energy gradient method. 利用INDO法及能量梯度方案计算了X_3Si~+(x=F,H)与CO,N_2小分子形成的“超分子”化合物的平衡几何构型及有关信息。
- The energies, equilibrium geometries and harmonic frequenies of these three electronic states have been calculated and compared using the methods of UHF, CID, UCISD and QCISD with the basis set 6-311G??. 计算并比较了在6-311G?基集合,UHF、CID、UCISD和QCISD水平下N2分子上述三个电子态的平衡结构和谐振频率;
- Equilibrium geometries of AgBr and AgI clusters AgBr和AgI团簇结构的研究
- It was found to have equilibrium geometry with all frequencies real at the second-order M? ller-Plesset perturbation (MP2/aug-cc-pvdz+BF) level. 在二级微扰理论的计算下(MP2/aug-cc-pvdz+BF),体系平衡几何的频率计算值都为正。
- This pair of scales is not in equilibrium. 这个天平不平衡。
- Keywords HBLiF fragment;isomerization reaction;equilibrium geometries;transitional states; 类硼烯;异构化反应;平衡构型;过渡态;
- Keywords HBNaX(X=F;Cl) fragment Equilibrium geometries Isomerization reaction Reaction activity; 类硼烯;平衡构型;异构化反应;反应活性;
- Allen and co-worker did ab initio calculation to test the adequacy of SCF MO calculations for predicting molecular equilibrium geometries 爱伦及其同事应用从头计算法来考查SCF MO计算对于预示分子平衡几何形的适宜性。
- Certain ear diseases can affect one's equilibrium. 某些耳疾会影响人的平衡能力。
- Allen and co-worker did ab initio calculation to test the adequacy of SCF mo.calculations for predicting mo.ecular equilibrium geometries 爱伦及其同事应用从头计算法来考查SCF MO计算对于预示分子平衡几何形的适宜性。
- The state of being in equilibrium. 平衡处于平衡的状态
- The equilibrium of force must be established in Europe. 必须确立欧洲的均势。
- He can't maintain enough equilibrium to ride a bike. 他骑自行车不能保持平衡。
- We must try to maintain the equilibrium of supply and demand. 我们必须努力保持供求均衡。
- I believe this state of equilibrium will be maintained. 我相信这个均势将被维持。
- But these are apparently distinct geometries. 但是这些显然是不同的几何。
- A device that brings about and helps maintain equilibrium. 平衡器可以帮助达到平衡或保持平衡的装置
- Equilibrium geometries 几何构型
- An influence or force tending to produce equilibrium; counterpoise. 平衡力趋向于产生平衡的影响或力量; 平衡、均衡