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pro vyhledávání: '"D. S. Boudreaux"'
Autor:
D. S. Boudreaux
Publikováno v:
Glassy Metals: Magnetic, Chemical, and Structural Properties ISBN: 9781351072267
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bbb964b801e7bd342de0aad5e7d66e31
https://doi.org/10.1201/9781351072267-1
https://doi.org/10.1201/9781351072267-1
Publikováno v:
Journal of The Electrochemical Society. 138:2549-2555
“© The Electrochemical Society, Inc. 1991. All rights reserved. Except as provided under U.S. copyright law, this work may not be reproduced, resold, distributed, or modified without the express permission of The Electrochemical Society (ECS). The
Autor:
D. S. Boudreaux
Publikováno v:
Physical Review B. 18:4039-4047
Autor:
D. S. Boudreaux, H. J. Frost
Publikováno v:
Physical Review B. 23:1506-1516
Computer-generated models of metallic glass alloys are explored to exhibit the short-range order of their atomic structure. Binary alloys Pd-Si, Fe-P, and Fe-B are studied as a function of composition. Several approaches are used. The distribution of
Publikováno v:
Molecular Crystals and Liquid Crystals. 118:323-326
Theoretical predictions for the electronic properties of a new class of organic polymers, polyarenemethides, are discussed. These polymers are designed to possess a degenerate ground state analogous to that in trans-polyacetylene. The parent polymer
Publikováno v:
The Journal of Chemical Physics. 85:4116-4119
The valence effective Hamiltonian technique (VEH), and modified neglect of differential overlap (MNDO) calculations are used to study the influence of strain induced by side chains on the geometry of polydiacetylene backbones and the resulting polyme
Publikováno v:
Journal of Non-Crystalline Solids. 15:435-454
This paper reports the computer generation of atomic models for amorphous tetrahedrally coordinated materials. Several approaches are used and their results are intercompared in terms of careful statistical studies on each structure. The best approac
Publikováno v:
Physical Review B. 28:6927-6936
Semiempirical self-consistent-field calculations are carried out on various polyenes with emphasis on defect configurations designed to simulate soliton and polaron excitations in polyacetylene. For defect-free polyenes, the calculated bond-length al
Publikováno v:
Journal of the American Chemical Society. 105:6555-6559
The valence effective Hamiltonian (VEH) technique is used to compute ionization potentials, optical transition energies, and electron affinities of oligomers and polymers in four conjugated systems: polyacetylene, poly@-phenylene), polythiophene, and
Autor:
D. S. Boudreaux, Ronald R. Chance
Publikováno v:
Chemical Physics Letters. 51:273-278
SCF Xα calculations are reported for a cyclic molecule whose bonding sequence is a model for the backbone bonding sequence in the polydiacetylenes. The electronic structure of the model molecule, with particular emphasis on the two lowest energy opt