Downloads provided by UsageCounts
<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>A theoretical study of the complexes formed by systems with electron-deficient and electron-excessive carbon atoms was carried out using DFT and ab initio methods up to the CCSD(T)/aug-cc-pVTZ computational level. Stable complexes with interaction energies between -6.0 and -22.8 kJ mol(-1) were obtained that correspond to weak C...C interactions. The atoms in molecules analysis of the complexes confirmed the presence of these interactions. Natural energy decomposition analysis and electron localization function analysis were performed to gain further insight into the nature of the interaction. Polarization is the most important stabilizing term in these complexes.
Models, Molecular, Carbon Monoxide, Acetylene, Carbon Compounds, Inorganic, Molecular Conformation, Electrons, Carbon Dioxide, Ethylenes, Sulfides, Carbon, Nitriles, Quantum Theory, Methane, Cyanates
Models, Molecular, Carbon Monoxide, Acetylene, Carbon Compounds, Inorganic, Molecular Conformation, Electrons, Carbon Dioxide, Ethylenes, Sulfides, Carbon, Nitriles, Quantum Theory, Methane, Cyanates
| citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 73 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 10% | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |
| views | 33 | |
| downloads | 42 |

Views provided by UsageCounts
Downloads provided by UsageCounts