The detailed schematic diagram of ESTEM can be found in Supplementary Fig. 20. It is generally known that Ni nanoparticles could be oxidized to form superficial NiO layers upon exposure to air at ambient conditions, which inevitably ruined original surface configurations of the reduced catalyst. In...
The CLi molecule should be a hypervalent molecule, which had been theoretically predicted from ab initio molecular orbital calculation by Schleyer et al. The observed dissociation energy of CLi to form CLi , 274 ± 11 kJ/mol, agreed well with the theoretical value, 273 kJ/mol. The ...
molecules on pure nanotube and Pd-doped, Si-doped single-walled carbon nanotubes (SWCNT) by density functional theory (DFT) method; the results show that conductivities of CNTs with HCHO molecule adsorption according to their energy gaps between HOMO and LUMO in frontier molecular orbital are, in...
Figure 5. Gibbs free energy diagram for the production of C2H5OH on the Cu(110) surface. The optimized adsorption geometries of key intermediates are shown in the insets. Cu: yellow, C: brown, O: red, H: white. It is worth noting that the hydrogenation of CH2OH-CH2* is the key to...
A stereo diagram is presented of the relationships among the three quantum numbers required to identify atomic orbitals. This provides students with an immediate visual image of the constraints on the values of the quantum numbers. 关键词: A 3-D Diagram of the Relationships among Atomic Orbitals,...
e Free energy diagram of the dominant pathway at low coverage for C2 formation at –0.5 V vs. RHE at pH = 7 and pH = 13 Full size image Figure 4a shows the experimental polarization curves for CO reduction reaction in a bulk pH of 7 and 13, respectively (see ...
adequatelydepictsthebondingsituationinC 2 .The assignmentofquadruplebondinginC 2 ismisleading,be- causethebondisweakerthanthetriplebondinHCCH. Introduction Thepresentunderstandingofmolecularstructuresandchemi- calbondingstillrestslargelyontheepochalsuggestionofGil- bertNewtonLewisin1916thatthechemicalbondmaybe ...
Comprehensive Ab Initio Investigation of the Phase Diagram of Quasi-One-Dimensional Molecular Solids Kazuyoshi Yoshimi, et al. Phys. Rev. Lett. 131, 036401 (2023) https://link.aps.org/doi/10.1103/PhysRevLett.131.036401 08-05 非厄米系统的动力学退化分裂和方向...
Quantum Phase Transitions in the One-Dimensional S=1 Spin-Orbital Model: Implications for Cubic Vanadates interaction between orbitals modifies the phase diagram, and discuss the results in a context of the first-order phase transition observed in YVOat 77 K... S Miyashita,A Kawaguchi,N Kawakami...
adhesive粘合剂 annex附件 apparent oil-water distribution coefficient (lgD)表观油水分配系数 auxiliary辅料 base materials基质 beta-cyclodextrin β-环糊精 buccal tablets口含片。含在口腔内缓缓溶解而发挥治疗作用的片剂,可在局部产生较高的药物浓度从而发挥较好的治疗作用,主要用于口...