Alkylation of nitrogen heterocycles—II : Semi-empirical calculations of the electron distribution in cinnolinesA partial optimisation of the geometry in cinnoline is reported and calculations by the INDO and C
The electron energy distribution function (EEDF) in a hollow-cathode glow discharge in mixtures of nitrogen with electronegative gases is investigated. It is shown that small admixtures of SF 6 or CCl 4 to nitrogen significantly increase the number of electrons in the energy range 2–6 eV, ...
The difference between the X-ray diffraction pattern from free nitrogen molecules and that predicted by the independent atom model is deduced from the experimental difference reported for electron diffraction. For liquid nitrogen the most recent and precise X-ray and neutron diffraction data are ...
From the free energy diagram, we can find that the limiting potential depends on the binding energies of the intermediates. Although there are usually several types of intermediates in a reaction, it is observed that the binding energies of different intermediates are closely related, which is know...
insightful guidance for the design of SAA catalysts for targeted reactions of industrial significance, as illustrated herein for the reduction of nitrogen. Results and discussion Adsorption of adatoms We start by analysing the periodic trends in the adsorption energies of key atomic adsorbates. ...
Fig. 3: Influence of pyrene labeling of C374 on subunit interactions in actin filaments. Ribbon diagrams have stick figures of important side chains and balls for important backbone nitrogen atoms (blue), oxygen atoms (red), and Cα atoms (green or salmon). Gray arrows on the right column...
To better understand why the M/BP (Cu/BP as the main research) catalysts possessed such a stable and high loading, we further explained the synthesis process, as seen in the schematic diagram of photochemical induced process (Fig.3a). BP has the adjustable direct-band-gap properties, enabling...
Graphene coated silicon nanowires hybrid structure. a) Energy band diagram of hybrid structure. b) Schematic of hybrid structure. Reproduced under terms of the CC-BY licence.112Copyright 2015, The Authors, published by Springer Nature. The Ohmic contact and the two-stage field enhancement together...
Fig. 2. Schematic diagram of the transverse electron-beam bombardment metastable source of Tommasi et al. [44]. Shown are (1) pulsed supersonic nozzle ground-state atom source; (2) skimmer; (3) electron control grid; (4) indirectly heated planar cathode; (5) electron control grid; (6)...
It is therefore in close proximity to the nitrogen nucleus (14N), which has a nuclear spin of 1 and, according to quantum theory, can therefore take three possible orientations in an applied magnetic field. The magnetic field experienced by an unpaired electron on the N–O bond will be ...