Concepedia

Molecular mechanics force field for some vinyl and methyl substituted benzenes

B. Mannfors, L-O. Pietilä, Kim Palmö

Journal of Molecular Structure · 1991 · 13 citations · 42 references

DOI

Concepts

References

42

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

, , +13

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

, , +6

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

Calculation of ground and excited state potential surfaces of conjugated molecules. I. Formulation and parametrization

A. Warshel, Martin Karplus · Journal of the American Chemical Society · 1972 · 762 citations

, , +15

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and <i>n</i>-Alkane Molecules

S. Lifson, Arieh Warshel · The Journal of Chemical Physics · 1968 · 653 citations

, , +17