Concepedia

Computational study of the reaction of dimethyl carbonate with methyl amine

A. Ya. Samuilov, F. B. Balabanova, Ya. D. Samuilov

Computational and Theoretical Chemistry · 2014 · 16 citations · 20 references

DOI

Concepts

References

20

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

, , +17

Toward reliable density functional methods without adjustable parameters: The PBE0 model

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1999 · 18.9K citations

, , +9

Ionization Potentials of Some Molecules

Kenji Watanabe · The Journal of Chemical Physics · 1957 · 577 citations · Full text

, , +11

Green chemistry metrics: a comparative evaluation of dimethyl carbonate, methyl iodide, dimethyl sulfate and methanol as methylating agents

Maurizio Selva, Alvise Perosa · Green Chemistry · 2008 · 214 citations · Full text

, , +17