doi:10.1016/j.chemphys.2010.11.004Mónica MoralJosé Manuel Granadino-RoldánAndrés GarzónGregorio GarcíaManuel Fernández-GómezElsevier B.V.Chemical PhysicsGomez, M. Does the number of nitrogen atoms have an influence on the conducting
Properties such as planarity, aromaticity, HOMO → LUMO excitation energy, electron affinity, LUMO level energy, reorganization energy and electron coupling between neighboring molecules in the crystal were analyzed from a theoretical perspective as a function of the number of nitrogen atoms in the ...
This paper introduces a new means to manipulate electronic structures and, consequently, the electrical properties of molecular devices via gradual increase of number of nitrogen atoms in the backbone of conjugated organic molecular systems. Diblock molecules were selected for this purpose. Density functio...
aA view of the crystal structure along thec-axis.bA view of the crystal structure along thea-axis.cThe coordination environment of the Sc atom.dA specific view of N12cycle along thea-axis.eA general view of N12cycle. Sc atoms are purple, N atoms are blue; thin grey lines outline the un...
1g). We next calculated the amounts of 15N-ammonia incorporated into each amino acid in met6Δ cells over the period of MR, taking into account the amino acid concentration, the mass isotopologue distribution, and the number of nitrogen atoms in each amino acid. Interestingly, we found that...
the presence of multiple nitrogen atoms 青云英语翻译 请在下面的文本框内输入文字,然后点击开始翻译按钮进行翻译,如果您看不到结果,请重新翻译! 翻译结果1翻译结果2翻译结果3翻译结果4翻译结果5 翻译结果1复制译文编辑译文朗读译文返回顶部 多个氮原子的存在...
The total number of nitrogen atoms reaching the vicinity of the thermistor probes was determined by a gas titration using the reaction of nitrogen atoms with nitric oxide. The atoms were generated in a 1 in, diameter quartz tube by an electrodeless discharge at a pressure of 0·3 mm of ...
Based on the results of a quantum chemical calculation using the DFT B3PW91/TZVP, MP2/TZVP and MP3/TZVP levels, the possibility of the existence of carbon–nitrogen compounds having the unusual carbon:nitrogen ratio 1:12, which is unknown for these elements at present, was shown. Data on ...
Amides are classified based on the number of carbon groups (including the acyl group) bonded to the nitrogen atom. Sign in to download full-size image The structures of amides resemble those of other carbonyl compounds: the three atoms bonded to carbon are in the same plane (Figure 12.3). ...
The reduction of the electrocatalyst size to make it economically more feasible is closely related to the exposure of more active sites as the surface-to-volume ratio increases. However, even in the case of a few-nanometer nanoparticle, most of the metal atoms constituting this nanoparticle are ...