J
John W. Mintmire
Researcher at Oklahoma State University–Stillwater
Publications - 124
Citations - 7740
John W. Mintmire is an academic researcher from Oklahoma State University–Stillwater. The author has contributed to research in topics: Carbon nanotube & Electronic structure. The author has an hindex of 34, co-authored 124 publications receiving 7458 citations. Previous affiliations of John W. Mintmire include University of Massachusetts Amherst & United States Naval Academy.
Papers
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Ab initio conformation and ionization potentials of polysilane oligomers
John W. Mintmire,J. V. Ortiz +1 more
TL;DR: Pas de difference importante dans l'energie totale entre les conformeres anti et gauche dans le tetrasilane as mentioned in this paper, et al.
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First-Principles Study of the Optical Properties of ZnO Single-Wall Nanotubes†
S. L. Elizondo,John W. Mintmire +1 more
TL;DR: In this article, the electronic structures and optical properties of ZnO single-wall nanotubes (SWNTs) within a first-principles, local-density functional approach adapted for helical symmetry were analyzed.
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First-principles band structures of armchair nanotubes
John W. Mintmire,Carter T. White +1 more
TL;DR: In this article, the expected electronic properties of armchair single-wall nanotubes with diameters in this range, and present first-principles local density functional results for band structure and density of states of these SWNTs.
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Molecular dynamics simulations of the oxidation of aluminum nanoparticles.
TL;DR: The oxidation of aluminum nanoparticles is studied with classical molecular dynamics and the Streitz-Mintmire electrostatic plus (ES+) potential that allows for the variation of electrostatic charge on all atoms in the simulation.
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Heteroatom effects in heterocyclic ring chain polymers
TL;DR: In this paper, it was shown that the dominant effect of the heteroatom on the π-band structure is via the direct interaction of the p-orbital lone pair with the carbon backbone structure.