N
Norman L. Allinger
Researcher at University of Georgia
Publications - 26
Citations - 9006
Norman L. Allinger is an academic researcher from University of Georgia. The author has contributed to research in topics: Hydrogen bond & Molecular mechanics. The author has an hindex of 19, co-authored 26 publications receiving 8766 citations.
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Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
TL;DR: An improved force field for molecular mechanics calculations of the structures and energies of hydrocarbons is presented in this paper, where the problem of simultaneously obtaining a sufficiently large gauche butane interaction energy while keeping the hydrogens small enough for good structural predictions was solved with the aid of onefold and twofold rotational barriers.
Journal ArticleDOI
Molecular mechanics. The MM3 force field for hydrocarbons. 1
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Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons
Jenn Huei Lii,Norman L. Allinger +1 more
TL;DR: The van der Waals' potentials used for interactions between carbon and hydrogen in both aliphatic and aromatic systems have been improved from those available in MM2, and the new values are used in MM3 as mentioned in this paper.
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Molecular mechanics. The MM3 force field for hydrocarbons. 2. Vibrational frequencies and thermodynamics
Jenn Huei Lii,Norman L. Allinger +1 more
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The MMP2 calculational method
TL;DR: The molecular mechanics (MMP2) program and procedures for the treatment of conjugated hydrocarbons, and some of the results which they can achieve are described in this article.