The minimum is at the gauche form, the first and second maxima are at the trans and the cis conformations respectively; the preference of trans isomer compared to the cis is also straightforward in the diagram. Energy partitioning analysis and the quest for the origin of the torsional barrier:...
将作者的方法应用于四个铁硫分子,与局域轨道相比,作者实现了显著的增强,高达2个数量级。此外,作者的方法在细胞色素P450酶模型中产生了更好的重叠。 (刘承葛) Enhancing Initial State Overlap through Orbital Optimization for Faster Molecular Electronic Ground-State Energy Esti...
prior demonstration of high fidelity gates or low-loss readout methods have employed restricted numbers of qubits. Using randomized benchmarking of microwave-driven single-qubit gates, we demonstrate average gate errors of 7(2)×10−5on a 225 site atom array...
The phase diagram for one-dimensional many-electron system with the elec-iron-electron and electron-phonon interactions is studied within the RPA and inthe adiabatic limit, so as to clarify the effect of the fluctuation on the phasediagram given by the mean field theory (MFT). The ground-state...
依据《中国石油天然气集团公司道路交通安全管理办法》(中油安〔2015〕367号)规定,驾驶员申领内部准驾证,除应持有与所驾驶车辆车型相符的有效驾驶证外,还应通过所属企业内部组织的身体状况审查以及基础理论和实际技能考核。驾驶道路危险货物运输车辆等专用车辆的驾驶员
Methods of Electronic Structure Theory contains 11 chapters: Gaussian basis sets for molecular calculations; the floating spherical Gaussian orbital method; the multiconfiguration self-consistent field method; the self-consistent field equations for generalized valence bond and open-shell Hartree--Fock wave...
我要评价: 用手机看文档 下载 开通VIP 化学及化工专业词汇英语翻译(D-I) daguerreotype 达盖尔银版 daily output 日产量 dalton's law 道尔顿定律 daltonide 道尔顿式化合物 dammar 达玛尸 dammar varnish 达玛胶漆 damper 减震器 daniell cell 丹聂耳电池 dark color 深色 dark line 暗线 dark plaster 黑石膏 dark...
2 Structural diagram of PHJ(left) and BHJ(right) 918 第 42 卷第 10 期 2020 年 10 月 肖建花等:二极管型近红外聚合物光电探测器研究进展 Vol.42 No.10 Oct. 2020 1.2 PPD 基本结构 典型 PPD 是光敏层夹在两个非对称电极之间形成 三明治结构,其中至少有一个电极透明.为促进电荷 的传输和收集,通常...
亮漆 lacquer 力矩 moment 力偶 couple 力矩定律 law of moment 力-距离图表 force-distance graph 力图 force diagram 力线 line of force 力点 effort 十字榫 cross halving joint 十字螺丝 Philip's head screw 十字螺丝批 Philip's type screwdriver 丁字尺;T 尺 tee square 三画 三爪夹头 three-jaw chuck...
<Molecular orbital diagram> Band Structure ReO3 Band Structure (Hydrogen) Band Structure (Hydrogen) a : the lattice constant (spacing between H atoms) n : identification of the individual atoms within the chain Χn : the atomic orbitals k : a quantum # that identifies the wavefunction ? the...