Concepedia

Ab initio rotational barriers and solvation free energies of fluorinated dimethyl ethers

Ronald A. Buono, Randy J. Zauhar, Carol A. Venanzi

Journal of Molecular Structure THEOCHEM · 1996 · 10 citations · 85 references

DOI

Concepts

References

85

Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

Norman L. Allinger · Journal of the American Chemical Society · 1977 · 3.6K citations

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An approach to computing electrostatic charges for molecules

U. Chandra Singh, Peter A. Kollman · Journal of Computational Chemistry · 1984 · 3.4K citations

, , +17

Atomic charges derived from semiempirical methods

Brent Besler, Kenneth M. Merz, Peter A. Kollman · Journal of Computational Chemistry · 1990 · 3.3K citations

, , +12

Molecular mechanics. The MM3 force field for hydrocarbons. 1

Norman L. Allinger, Y. Yuh, Jenn Huei Lii · Journal of the American Chemical Society · 1989 · 2.8K citations

, , +14

An ab Initio CFF93 All-Atom Force Field for Polycarbonates

Huai Sun, Stephen J. Mumby, Jon R. Maple et al. · Journal of the American Chemical Society · 1994 · 1.3K citations

, , +6