Concepedia

Electrochemical techniques and quantum chemical analysis as tools to study effect of a dicationic ionic liquid on steel behavior in H2SO4

A.R. Jannat, Reza Naderi, Elaheh Kowsari, Hassan Gharayagh Zandi, Mesbah Saybani, Reza Safari, Ali Ehsani

Journal of the Taiwan Institute of Chemical Engineers · 2019 · 36 citations · 47 references

DOI

Concepts

References

47

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

Michelle Francl, William J. Pietro, Warren J. Hehre et al. · The Journal of Chemical Physics · 1982 · 8.2K citations · Full text

, , +16

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

Timothy Clark, Jayaraman Chandrasekhar, Günther W. Spitznagel et al. · Journal of Computational Chemistry · 1983 · 7.1K citations

, , +6

Nucleus-Independent Chemical Shifts:  A Simple and Efficient Aromaticity Probe

Paul von Ragué Schleyer, Christoph Maerker, Alk Dransfeld et al. · Journal of the American Chemical Society · 1996 · 6.2K citations

, , +5

Accuracy of AH<sub><i>n</i></sub>equilibrium geometries by single determinant molecular orbital theory

P. C. Hariharan, John A. Pople · Molecular Physics · 1974 · 2.3K citations

, , +15