Concepedia

Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone

Abdo‐Reza Nekoei, Sayyed Faramarz Tayyari, Mohammad Vakili, Soheila Holakoei, Amir Hossein Hamidian, Robert Erik Sammelson

Journal of Molecular Structure · 2009 · 40 citations · 52 references

DOI

Concepts

References

52

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

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

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

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

Electric Moments of Molecules in Liquids

Lars Onsager · Journal of the American Chemical Society · 1936 · 5.3K citations

, , +8

Solvent effects. 1. The mediation of electrostatic effects by solvents

Ming Wah Wong, Michael J. Frisch, Kenneth B. Wiberg · Journal of the American Chemical Society · 1991 · 969 citations

, , +16