Generation
Gen 1
In this Analyte Page, we summarize the calculated Generation 1 (Reduced Charge Model) binding energy (in eV; 1 eV = 96.5 kJ/mol) of dimethylmethylphosphonate (DMMP). Please note that we update the publicly available list of metal cations when new publication appears and/or patenting process is finished. Details of the computational and experimental procedures can be found here: http://dx.doi.org/10.1038/ncomms13338
Analyte Data Table
| Cation | Binding Energy (eV) | Computational Method | Published |
|---|---|---|---|
|
Ag(0)
|
-0.17
|
B3LYP/CEP121G
|
Published
|
|
Al(2+)
|
-8.60
|
CBS-QB3
|
Published
|
|
Be(1+)
|
-4.72
|
CBS-QB3
|
Unpublished
|
|
Cd(1+)
|
-2.27
|
B3LYP/CEP121G
|
Published
|
|
Co(1+)
|
-2.54
|
CBS-QB3
|
Published
|
|
Co(2+)
|
-8.00
|
CBS-QB3
|
Unpublished
|
|
Cr(2+)
|
-7.17
|
CBS-QB3
|
Unpublished
|
|
Cu(1+)
|
-2.81
|
CBS-QB3
|
Published
|
|
Fe(1+)
|
-3.00
|
CBS-QB3
|
Unpublished
|
|
Fe(2+)
|
-8.08
|
CBS-QB3
|
Published
|
|
Ga(2+)
|
-8.09
|
CBS-QB3
|
Unpublished
|
|
Ge(1+)
|
-3.31
|
CBS-QB3
|
Unpublished
|
|
Ge(3+)
|
-23.07
|
CBS-QB3
|
Unpublished
|
|
La(2+)
|
-5.20
|
B3LYP/CEP121G
|
Published
|
|
Mg(1+)
|
-2.67
|
CBS-QB3
|
Unpublished
|
|
Mn(1+)
|
-2.09
|
CBS-QB3
|
Unpublished
|
|
Na(0)
|
-0.44
|
CBS-QB3
|
Published
|
|
Ni(1+)
|
-2.78
|
CBS-QB3
|
Published
|
|
Pb(1+)
|
-2.79
|
B3LYP/CEP121G
|
Unpublished
|
|
Sc(2+)
|
-5.47
|
CBS-QB3
|
Unpublished
|
|
Ti(2+)
|
-5.81
|
CBS-QB3
|
Unpublished
|
|
Ti(3+)
|
-15.65
|
CBS-QB3
|
Unpublished
|
|
V(1+)
|
-2.40
|
CBS-QB3
|
Unpublished
|
|
V(2+)
|
-6.40
|
CBS-QB3
|
Unpublished
|
|
V(3+)
|
-17.25
|
CBS-QB3
|
Unpublished
|
|
V(4+)
|
-41.51
|
CBS-QB3
|
Unpublished
|
|
Zn(1+)
|
-2.79
|
CBS-QB3
|
Published
|