搜索结果: 1-15 共查到“理学 Ab”相关记录70条 . 查询时间(0.076 秒)
南开大学研究团队提出自旋矢势与自旋AB效应(图)
阿哈罗诺夫-波姆效应 自旋矢势 量子力学
2023/12/20
中国科学院水生生物研究所发布高质量AB品系斑马鱼参考基因组并揭示不同斑马鱼品系间的序列差异(图)
中国科学院水生生物研究所 斑马鱼 AB品系 基因组 序列差异 Molecular Ecology Resources
2022/4/24
质子加速器适用于为硼中子俘获治疗提供中子源,其中子源强及能谱较反应堆中子源更具可调性。中子靶物理计算分析是加速器中子源设计的基础,为其提供粒子能量、流强等参数需求分析,并为靶体结构尺寸设计、中子慢化和屏蔽分析等提供前端参数。本文利用MCNPX蒙特卡罗程序,通过对质子打靶的中子产额和能谱、靶体能量沉积、打靶后靶材放射性活度和中子出射空间角分布等进行研究,提出能量2.5 MeV质子轰击100~200 ...
为提高工程噪音环境中低信噪比微震信号的自动识别率及其P波自动拾取准确率,结合Allen算法能快速自动拾取震动信号的优点及Bear算法善于拾取低信噪比震动信号P波初至的优势,在Allen算法的基础上,引入Bear算法的加权因子和特征函数,对Allen算法进行改进,提出适用于工程尺度的微震信号及P波初至自动识别的AB(Allen coupled with Bear algorithm)算法。分析AB算...
近日中国科技大学生命学院和微尺度物质科学国家实验室研究人员发现,自然杀伤细胞对维持胚胎免疫耐受具有重要调控作用,揭示胚胎免疫的AB面,相关成果发表在《自然-通讯》(Nature Communications)等国际权威期刊上。
应用原子-键电负性均衡方法中的σπ模型(ABEEMσπ模型),通过大量量子化学计算,拟合确定了含铝金属酶体系的ABEEMσπ参数.将这些参数应用到含铝金属酶大分子体系的电荷分布及Fukui函数的计算,结果显示,ABEEMσπ模型计算得到的电荷分布及Fukui函数与从头算和实验结论均有很好的一致性.还进一步计算分析了1L3R酶与丝氨酸结合前后的分子各区域的电荷分布,结果表明,Al3+是1L3R酶的活...
Ab initio calculation of ideal strength and phonon instability of graphene in tension
strength phonon instability graphene
2012/8/8
Graphene-based sp2-carbon nanostructures such as carbon nanotubes and nanofibers can fail
near their ideal strengths due to their exceedingly small dimensions. We have calculated the
phonon spectra ...
Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen
Electronic transport coefficients ab initio simulations liquid hydrogen Plasma Physics
2012/5/17
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated ...
Hydrogen and deuterium in shock wave experiments, ab initio simulations and chemical picture modeling
Hydrogen and deuterium ab initio simulations chemical picture modeling Plasma Physics
2012/5/17
We present equation of state data of shock compressed hydrogen and deuterium. These have been calculated in the physical picture by using {\it ab initio} molecular dynamics simulations based on finite...
A transferable ab-initio based force field for aqueous ions
transferable ab-initio force field aqueous ions Chemical Physics
2012/4/20
We present a new polarizable force field for aqueous ions (Li+, Na+, K+, Rb+, Cs+, Mg2+, Ca2+, Sr2+ and Cl-) derived from condensed phase ab-initio calculations. We use Maximally Localized Wannier Fun...
Prediction of equilibrium Li isotope fractionation between minerals and aqueous solutions at high P and T: an efficient ab initio approach
Li isotope fractionation equilibrium minerals aqueous
2011/8/11
Abstract: The mass-dependent equilibrium stable isotope fractionation between different materials is an important geochemical process. Here we present an efficient method to compute the isotope fracti...
Prediction of equilibrium Li isotope fractionation between minerals and aqueous solutions at high P and T: an efficient ab initio approach
equilibrium isotope fractionation aqueous solutions efficient initio approach
2011/10/14
The mass-dependent equilibrium stable isotope fractionation between different materials is an important geochemical process. Here we present an efficient method to compute the isotope fractionation be...
Regularizing binding energy distributions and thermodynamics of hydration. Application to water modeled with classical and ab initio simulations
potential distribution theorem hydration free energy hybrid Monte Carlo vapor-liquid equilibrium
2011/8/5
Abstract: The high-energy tail of the distribution of solute-solvent interaction energies is poorly characterized for condensed systems, but this tail region is of principal interest in determining th...
Testing the density matrix expansion against ab initio calculations of trapped neutron drops
density matrix neutron drops
2011/7/20
Microscopic input to a universal nuclear energy density functional can be provided through the density matrix expansion (DME), which has recently been revived and improved.
Ab initio Study of Hyperconjugative Effect on Electronic Wavefunctions of 2-chloroethanol
Ab initio Hydrogen bond Natural bond orbital Hyperconjugative effect Momentum distribution
2012/4/5
The electronic structure of five conformers of 2-chloroethanol was studied by ab initio cal-culations at B3LYP and MP2 levels of theory with aug-cc-pVTZ basis set. The existing hydrogen bond and hyper...