Concepedia

Production of copper nanoparticles exhibiting various morphologies via pulsed laser ablation in different solvents and their catalytic activity for reduction of toxic nitroaromatic compounds

Talshyn Begildayeva, Seung Jun Lee, Yiseul Yu, Juhyeon Park, Tae Ho Kim, Jayaraman Theerthagiri, Ahreum Ahn, Hyeon Jin Jung, Myong Yong Choi

Journal of Hazardous Materials · 2020 · 99 citations · 61 references

DOI

Concepts

References

61

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

, , +17

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

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

, , +15