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22 Φεβ 2011 · Quantum chemical calculations were carried out to study the reaction of carbon monoxide with molecular oxygen in the ground triplet and singlet delta states. Transition states and intermediates that connect the reactants with products of the reaction on the triplet and singlet potential energy surfaces were identified on the base of coupled ...
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30 Οκτ 2024 · These hydrogen bonds form as hydrogen and oxygen atoms from neighboring water molecules connect, exchanging electronic charge in the process. This charge-sharing is a key feature of the three-dimensional ‘H-bond’ network that gives liquid water its unique properties, but quantum phenomena at the heart of such networks have thus far been ...
21 Απρ 2022 · Use the frequency of the \(J = 0\) to \(J = 1\) transition observed for carbon monoxide to determine a bond length for carbon monoxide.
17 Αυγ 2006 · This paper discusses recent progress that has been made in the understanding of the electronic structure and bonding situation of carbon monoxide which was analyzed using modern quantum chemical methods.
If carbon monoxide and oxygen are present in sufficient quantity, the reaction is spontaneous at high temperature and pressure. The first step in the gas-phase reaction between carbon monoxide and oxygen is a collision between the two molecules: CO(g) + O2(g) CO2(g) + O(g) CO (g) + O 2 (g) CO 2 (g) + O (g)
water-gas shift reaction on platinum is water addition to pre-adsorbed carbon-monoxide. This takes place at the Pt(111) face 1 ultimately producing H 2 as a clean, sustainable fuel. In the present work, we evaluate the activation barrier for this water addition, to showcase the accuracy of QMC.
1 Ιαν 2014 · Absolute multiple ionization cross sections of water and carbon monoxide molecules induced by very high-q fast projectiles (q/v > 1) - ScienceDirect. International Journal of Mass Spectrometry. Volume 357, 1 January 2014, Pages 45-50.
