However, the CH4 yield as well as the amount of power generated need to be increased to further develop this technology, and the efficient use of COads, which requires weakening the CO-metal bond, would represent a potential breakthrough toward this goal. Pt-Ru alloy catalysts are known to ...
Fig. 1: The adiabatic potential curves for the C–O bond breaking channel of CH3OH2+ using MS-CASPT2/(12e,10o)/aug-ccpVTZ16. As the C–O strech coordinate is extended away from the Frank-Condon geometry of the neutral methanol ground state, shown by the black curve, the dication ...
Bond multiplicity/orderChemical bond descriptorsEnergy partitioningInformation theoryMolecular communication systemsNatural orbitalsOrbital communication theoryShull model of H2Alternative information-theoretic (IT) measures of the chemical bond multiplicity and its covalent/ionic composition in the orbital ...
heterochelate 混合配位体螯合物 heterocomplex 杂合物 heterocompound 杂化合物 heteroconjugate 复共轭对配合物 heterocrystal 异质晶体 heterocycle 杂环 heterocyclic amine 杂环胺 heterocyclic amino acid 杂环氨基酸 heterocyclic chemistry 杂环化学 heterocyclic compound 杂环化合物 heterocyclichydrocarbon2杂环烃 heterocyclic...
heteroatomic bond 杂原子键heteroatomic compound 杂原子化合物heteroatoms 杂原子heteroaxial fold 异轴褶皱heteroblastic texture 异变晶结构heterocatenary polymer 杂链聚合物heterochain fibre 杂链纤维heterochain polymer 杂链聚合物heterocharge 混杂电荷heterochelate 混合配位体螯合物heterocomplex 杂合物heterocompound ...
H - bondThe investigation of second order vibrational spectra of solid hydrates is a complicated experimental and theoretical problem. Up to new, there is a small number of IR-absorption studies and a few Raman ones, which consider multiphonon processes. Recently, the theoretical works of ...
Photoionization mass spectrometric study of N2H2and N2H3: N–H, N=N bond energies and proton affinity of N2 Abstract The photoion yield curves of N2H+ 2, N2H+, and H+ 2 from N2H2 have been studied by photoionizationmass spectrometry. The adiabatic ionization pote... B Ruscic,J Berko...
并揭示出水解反应很难在纤维素初期热解阶段发生作用，而将在高温阶段产生影响。（2）纤维素热解过程中主要小分子产物生成机理。通过选取β-D-吡喃葡萄糖作为纤维素模型化合物，研究了两种反应系列包括七种反应路径。第一反应系列讨论了纤维素链端的反应过程，第二反应系列研究了链中的反应过程。理论结果合理解释出实验...
Bond functions were placed at mid-distance between the HNC center of mass and the center of mass of H2for a better description of the van der Waals interaction. Close coupling calculations of the inelastic integral cross sections of HNC in collisions with para-H2and ortho-H2were calculated for...
the multiple bond cleavage and bond formation processes, and the roaming of the neutral H2moiety, all occur within a 100–250 fs timescale in our experiments. This recent finding, associating neutral H2roaming with the formation of H3+under strong-field excitation, inspired a series of additio...