Furthermore, we have investigated the activation barrier energies of C-H bond breaking of CH4 on Ni, Pt, and Ag ad-atoms of 4-type surfaces because Pt ad-atom exhibits stronger adsorption energy of CH4, Ag ad-atom exhibits weaker ones, and Ni utilizes for the steam reforming reaction. ...
It normally happens with tricky metal complexes and might be fixed with different structures (i.e., changing a single bond + positive charge with a double bond).') + return -1, None, None, None + mol.SetProp("_Name", name) # detects and applies auto-detection of initial number of ...
(-H)-briCo,C(-O)-topCu fccCo/C(-H)-briCo,C(-O)-topCu fccCo topCo topCo topCo topCo briCo/O-topCo, O-topCo — aTtatbhleei2r.p rTehfeeraadbsleorapdtsioornpetinoenrgsiietess(.EaTadhs,eenVe)araensdt adsorption configurations (d, Å) of bond length, X stands for H, C ...
Chemical recycling of unsaturated polyester resin and its composites via selective cleavage of the ester bond. ACS Sustainable Chem. Eng. 3, 340− 348 (2015). 14. Paszun, D. & Spychaj, T. Chemical recycling of poly (ethylene terephthalate). Ind. Eng. Chem. Res., 36, 1373 (1997)...
The dissociations of a series of HnXH bonds (HnX = H3C, H2N, HO, F) are investigated by means of an ab initio valence bond method, in order to probe the existence and the mechanism of the weakening effect that a lone pair on the X atom might exert on the adjacent bonds. One manif...
The rigid GO layer effectively inhibited the framework flexibility of ZIF-8 through capillary force and covalent bond. Therefore, the H2/CH4 separation factor significantly increased to 139 for the ZIF-8@GO composite membrane. Recently, Agrawal et al. [91] adopted a novel post-synthetic rapid ...
The results CO and indicate HCOOH that the tfolexCiHbl4e (Supplementary DMSPs might self-adaptively bond various C1 intermediates during the reduc- tion is a oref aCl Op2htootoCcHat4a.lyCtiocntrreodluecxtpioenrimpreonctsescslewariltyh indicate that this triethanolamine (TEOA) as the sacrificial...
H2 Molar Mass H2 Bond Polarity H2 Oxidation Number Show Chemical Structure Image Thermodynamics Thermodynamics of the reaction can be calculated using a lookup table. Choose Compound States Enthalpy Calculator Entropy Calculator Gibbs Free Energy Calculator Reaction Expressions Equilibrium Constant & Reaction...
Globally, tropical forests are assumed to be an important source of atmospheric nitrous oxide (N2O) and sink for methane (CH4). Yet, although the Congo Basin comprises the second largest tropical forest and is considered the most pristine large basin lef
We have evaluated the performance of 24 popular density functionals for describing the potential energy surface (PES) of the archetypal oxidative addition reaction of the methane C–H bond to the palladium atom by comparing the results with our recent ab initio [CCSD(T)] benchmark study of ...