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- The adsorbate geometries are understood in the light of the frontier orbital theory. 构型可以根据前线轨道理论得到理解。
- Optimized structure , atomic net charge , adsorption energy and frontier orbital energy of C 3H 6/ C 3H 8 and AgCl / CuCl are calculated by ZINDO/1 and ab initio/STO-6G*. 用ZINDO/ 1和abinitio/STO -6G 方法 ,对C3H6 、C3H8与AgCl、CuCl间的吸附态优化构型、原子净电荷、吸附能、前沿轨道能量作了计算。
- The first hyperpolarizability and molecular frontier orbit properties of barbituric acid derivatives are studied at HF/6-31G level by coupled perturbed Hartree-Fock (CPHF) method. 摘要采用耦合微扰(CPHF)方法在HF/6-31G水平上对巴比妥酸衍生物的第一超极化率和分子前线轨道性质进行了计算。
- Characteristics of adsorption for aniline,phenol and benzoic acid were reported at different temperature onto the three adsorption resins of Amberlite XAD-4,AM-1 and JX101,and interpreted with frontier orbital theory. 通过3种吸附树脂AmberliteXAD-4、AM-1和JX101对芳香化合物苯胺、苯酚和苯甲酸在不同温度下的吸附特征,利用前线轨道理论进行了合理解释。
- The frontier orbital theory was used to explain the soft hard acid base principles,and the soft hard acid base principles were used to explain the stabilities of supramolecular chemical compounds. 运用前线轨道理论解释了软硬酸碱原理,并利用软硬酸碱原理解释了超分子化合物的稳定性,及电子原子种类对离子选择性的影响。
- Their ionization energies, electron affinities, charge densities, frontier orbitals have also been computed.And their coordination has been discussed. 计算了分子的电离能、电子亲合能、电荷密度和前线轨道，并研究了该分子的配位性能。
- The application of the frontier orbital theory to the chemistry 前线轨道理论在化学中的应用
- Keywords Frontier orbital;Superdelocalizability;Reactivity index; 前线轨道;超离域性;反应活性指数;
- The spacecraft is in orbit around the moon. 该航天器在绕月球轨道运行。
- Everything is quiet on the frontier. 边境上一切安静。
- The car was turned back at the frontier. 汽车在边境处被拦住了。
- Our frontier guards held up under fierce enemy attack. 我们的边防战士在敌人猛烈进攻下巍然不动。
- The space shuttle will orbit a weather satellite. 太空梭将把一个气象卫星送入运行轨道。
- The launch vehicle lifts the satellite into orbit. 太空火箭将人造卫星送入运行轨道。
- The frontier ranges from the northern hills to the southern coast. 边界从北部山地一直延伸到南部海岸。
- Something of circular form; a circle or an orbit. 圆形物体圆形物体; 圆圈或环形轨道
- Keywords Molybdovanadophosphoric Heteropolyacid Salt;Electronic Configuration;Frontier Orbital;Catalytic Property; 磷钼钒酸盐;电子结构;前线轨道;催化性质;
- The spacecraft is in orbit (ie moving in orbit) round the moon. 该航天器在绕月球轨道上飞行。
- The frontier range from the northern hill to the southern coast. 边界从北部山地一直延伸到南部海岸。
- By pooling our talents and resources we can make space a new frontier of peace. 如果我们把才能和资源汇合起来，就能把太空这个尚未开拓的疆域变成一个新的和平疆域。
- 今日热词
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- 深远海浮式风电平台 - deep-sea floating wind power platform
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- 京雄高速公路 - Beijing-Xiongan expressway
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- 农业及相关产业增加值 - the added value of agriculture and related industries
