Catalytic decomposition interaction energies

Derivation (1) Reaction of steam with natural gas (steam reforming) and subsequent purification (2) partial oxidation of hydrocarbons to carbon monoxide and interaction of carbon monoxide and steam (3) gasification of coal (see Note 1) (4) dissociation of ammonia (5) thermal or catalytic decomposition of hydrocarbon gases (6) catalytic reforming of naphtha (7) reaction of iron and steam (8) catalytic reaction of methanol and steam (9) electrolysis of water (see Note 2). In view of the importance of hydrogen as a major energy source of the future, development of the most promising of these methods may be expected. 

Variational-perturbational energy decomposition scheme was successfully employed in a number of diverse phenomena investigations including the influence of mutations within enzyme active site54, the contribution of particular active site residues to catalytic effects55 and the connection between inhibitory activity and the interaction energy56-58. The latter will be presented in what follows. 

The nature of the 02-FePc bond has been rationalized by using the Ziegler-Rauk energy decomposition scheme [56] focusing into the O2 interaction and its variation through the three catalytic steps considered in Eqs. 1, 2 and 3. 

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