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The result that NPX is less stable than XNP is rationalized according to greater promotion energy required for the lone pair of phosphorus in NP to form the P-X bond than for that of nitrogen to form the N-X bond. This a energy contribution is counterbalanced by the 脧聙 energy ...
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Force-field calculations show a difference of E 20 kJ mol-1, making the open-pore system less stable than the apohost.doi:10.1002/adfm.200500245T. HertzschC. GervaisJ. HulligerB. JaeckelS. GuentayH. BruchertseiferA. NeelsJohn Wiley & Sons, Ltd.Advanced Functional Materials...
For the dissociated state, our results indicate that the hcp hollow site is much less favorable than the fcc site. For the latter site, we find that, because of surface gold atom relaxation, the adsorption energy depends strongly on , changing from 18 kcal/mol at = 0.25 to 3 kcal/mol ...
The heat of vaporization is the amount of energy given off when a gas liquifies (or the amount of energy needed to vaporize the liquid). Phase Diagram for Water The frozen state of water (ice) is actually less dense than the liquid state, thus, the liquid state is more compact than ...
The bis-substituted complexes are generally less stable than the platinum adducts, and metalation of the bases is reversible. [References: 22] 展开 关键词: Anticancer drug cisplatin Intrastrand cross-link Head-to-head Crystal-structure Dodecamer duplex Adducts Ligand Nmr Cytotoxicity Nucleosides ...
With the help of direct-detection electron-counting (DDEC) camera, high- resolution TEM (HRTEM) image of CH3NH3PbBr3 has been successfully obtained, which is much more stable than MAPbI3, though the observed off-centered MA+ with different orientations has not been well substantiated16. ...
both the total yield and selectivity were far lower than the values with CuNi NPs/UiO-66(Hf) and CuNi SAs/UiO-66(Hf). On the other hand, CuNi NPs/UiO-66(Hf) displays a comparable selectivity, while the efficacy is only about 60% that of CuNi SAs/UiO-66(Hf). Furthermore, we have...
The structure and stability of the closed shell Au–SCH3 complex (1A′, assuming simplified C3v structure of CH3S) is determined by quite strong Au–S covalent bond formed by the Au valence 6s orbital and the singly occupied non-bonding orbital of CH3S. Less stable is the triplet state ...