Ab initio Hartree-Fock calculations of spin densities associated with bond alternating defects and end effects in trans-polyacetylene
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Condensed Matter Physics,General Chemistry
Reference24 articles.
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1. Improved Prediction of Properties of π-Conjugated Oligomers with Range-Separated Hybrid Density Functionals;Journal of Chemical Theory and Computation;2011-07-14
2. Spin-charge separation in molecular wire conductance simulations;Physical Review B;2008-10-10
3. Soliton Dynamics in trans-Polyacetylene;Advances in Quantum Chemistry;1994
4. Effects of disorder on soliton dynamics;Journal of Molecular Structure: THEOCHEM;1993-06
5. The Pariser-Parr-Pople model for trans-polyenes. II. Parametrization and ground state dynamics;Chemical Physics;1992-03
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