查询词典 binding energy

Crystal Structure; Reciprocal Lattice; Crystal Binding; Phonon; Free Elecron Fermi Gas; Energy Bands; Semiconductor Crystals; Superconductivity; Dielectrics and Ferroelectrics; Diamagnetism and Paramagnetism; Ferromagnetism and Antifierromagnetism; Magnetic Resonance.

晶体结构、反商晶格、晶体链结、声子、自由电子费密气、能带、半导体晶体、超导体、介电材料与铁电材料、抗磁与顺磁、铁磁与反铁磁、磁与共振。

The structures and stabilities of the ground-states for Cu13-nAgn clusters have been studied by Gupta model potential based on tight binding second moment approximation in combination with a genetic algorithm. It is found that the lowest energy structures of the pure clusters (n=0,13) are perfect icosahedron, and the structures for the bimetallic clusters (n=1～10) have stable structure which are slightly deformed with respect to the perfect icosahedron, The Cu atom prefers to occupy the center of the clusters with higher coordination numbers.

在混合团簇基态结构优化的遗传算法方案中增加了交换算子，结合Gupta紧束缚模型势研究了Cu13-nAgn团簇的最低能量结构，选择合适的交换和杂交概率，可有效地提高优化效率，优化结果表明，Cu13和Ag13是全对称的二十面体，n=1～10的混合团簇能形成稳定结构，其构型是在二十面体基础上发生畸变，Cu原子趋于处在团簇中心，随着Ag原子数目的增加，原子间的平均距离单调增加，团簇的结合能单调减小，Cu2Ag12和CuAg12只存在亚稳结构。

The progress in computational chemistry study of protein kinase A has been reviewed, including the molecular dynamics simulation study of PKA holoenzyme and its C subunit and R subunit in aqueous solution, phosphoryl transfer mechanism, the binding free energy predicting and flexible docking of C subunit with its inhibitor balanol.

本文综述了PKA在计算化学领域的研究进展，包括PKA全酶以及它的催化亚基和调节亚基在水溶液中的分子动力学模拟研究，磷酰基转移机理和C亚基与其抑制剂balanol的结合自由能预测、柔性对接。

The process of binding was a spontaneous molecular interaction with increasing of entropy and decreasing of Gibbs free energy. Thus the interaction of piperine with BSA was driven mainly by hydrophobic force.

通过热力学参数的计算，确定胡椒碱与牛血清白蛋白的相互作用是一个熵增加和吉布斯自由能降低的自发过程，主要作用力为疏水作用力。

It's helpful to find new outlets for the jittery physical energy of Virgo, such as crafts, gardening, martial arts, penning snail mail, book binding, yoga, tending to animals, volunteering, tree-hugging, giving and receiving massage, independent research, purifying in a sauna or hot tub, visiting a sacred place, creating an altar, researching enviro-toxins, home re-organizing, restorative nature projects, regular exercise, ritual cleansing, detoxing mind, body and spirit, and reaching for a new level of well-being.

这有助於找到新的出路紧张体力的处女座，如手工艺，园艺，武术，潘宁蜗牛邮件，书籍装订，瑜珈，趋向於动物，志愿服务，树拥抱，提供和接受按摩，独立的研究，净化在桑拿或热水浴盆，访问一个神圣的地方，创造了一个祭坛，研究环保毒素，家庭重新组织，恢复性的项目，经常运动，礼仪清洗， detoxing思想，身体和精神，并达到了一个新的水平福祉。

It was concluded that PG not only played an important role in trimer formation but also effected the pigments binding and the energy transfer within the LHCⅡ.

以上实验结果证明，PG及其反式十六碳一烯酸不仅在LHCⅡ三聚体的形成中具重要作用，而且还影响色素分子在LHCⅡ三聚体中的结合状态以及叶绿素b到叶绿素a的正常能量传递。

The energetic and structural properties of SiH_2 adsorbed on single dimer vacancy of the Si(100)-c(4×2) surface, the structures of 0.5ML hydrogenated Si(100) surface and the deposition and diffusion behaviours of silicon adatom on the H-terminated Si (100) surfaces have been studied by using empirical tight-binding total energy calculations.

本文采用经验紧束缚近似方法研究了SiH_2在Si(100)-c(4×2)表面单空位处的吸附结构、0.5ML覆盖率氢化的硅表面结构以及附加硅原子在H-terminated Si(100)表面的沉积吸附行为。

Simultaneity, the adsorption energies of single Si adatom on the H-terminated Si (100) surfaces are specially mapped out in this paper, from which the favorite binding sites and possible diffusion pathways have been achieved. The variety of the diffusion anisotropy with the coverage transforming is obtained. The energy barriers of the adatom diffusion are found to be higher than that on the clean surface, because the H atoms saturate the dangling bonds of the surface Si atoms.

同时，本文研究了附加硅原子在理想H-terminated Si(100)表面的沉积扩散行为，计算得到了一系列沉积点和可能的扩散路径；讨论分析了扩散行为的各向异性以及氢覆盖率对各向异性影响的规律，并且发现附加硅原子在H-terminated Si(100)表面上的扩散势垒比在清洁Si(100)表面上的高，我们认为这主要是因为氢原子饱和了表面上硅原子的悬挂键，提高了扩散势垒。

Results The complexes with larger conjugative planar areas, lower energy differences △ε(subscript L/H) between LUMOs and HOMOs were advantageous to improve their DNA-binding affinities, thereby, increase the antitumor activities of complexes.

结果 具有较大面积的插入配体，及较低的HOMO与LUMO轨道能量间隙△ε(下标 L-H有利于配合物与DNA的作用，从而增加配合物的抗肿瘤活性。

Considering the curvature effect on hooping of nearest-neighboring carbon atoms of armchair carbon nanotubes, the energy band, density of state and velocity of electron of armchair SWNT were analytically derived by using the tight-binding model and Born-Karman boundary condition.

在考虑曲率效应对扶手椅型碳纳米管最近邻碳原子交叠积分影响的情况下，利用紧束缚模型和玻恩－卡门边界条件解析地推导扶手椅型SWNT的能带、态密度和电子公有化运动速度，对扶手椅型SWNT电子性质的分析发现：考虑曲率效应后扶手椅型SWNT仍然是金属管，但其能带的总能减小，其态密度的导电平台变窄且其电子公有化运动速度变小。

The absorption and distribution of chromium were studied in ryeusing nutrient culture technique and pot experiment.

采用不同浓度K2CrO4(0，0.4，0.8和1.2 mmol/L)的Hoagland营养液处理黑麦幼苗，测定铬在黑麦体内的亚细胞分布、铬化学形态及不同部位的积累。

By analyzing theory foundation of mathematical morphology in the digital image processing, researching morphology arithmetic of the binary Image, discussing two basic forms for the least structure element: dilation and erosion.

通过分析数学形态学在图像中的理论基础，研究二值图像的形态分析算法，探讨最小结构元素的两种基本形态：膨胀和腐蚀；分析了数学形态学复杂算法的基本原理，把数学形态学的部分并行处理理念引入到家实际应用中。