Calculation of the Energy Band Structures of Complicated Periodic DNA Models in the Semiempirical SCF–LCAO–Crystal‐Orbital Approximation
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1672849
Reference10 articles.
1. Semiempirical SCF LCAO crystal orbital calculation of the energy band structure of the homopolynucleotides
2. Energy band structure calculations for poly (A-T) and poly (G-C) in the semiempirical SCF LCAO crystal orbital approximation
3. Some developments in the semiempirical theories of molecular crystals. II. The Pariser-Parr-Pople approximation
4. Electronegativity. I. Orbital Electronegativity of Neutral Atoms
5. Pariser-parr-pople calculations on different DNA constituents
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1. Toward the electronic structure of real DNA;International Journal of Quantum Chemistry;2009-06-18
2. The energy band structure and conduction properties of DNA;International Journal of Quantum Chemistry;2009-06-18
3. Electronic-structure-based molecular-dynamics method for large biological systems: Application to the 10 basepair poly(dG)⋅poly(dC) DNA double helix;Physical Review B;1997-03-15
4. Effects of hydration and stacking interactions on the electronic structure of DNA models;Collection of Czechoslovak Chemical Communications;1988
5. Semiempirical Band-Structure Calculations;Quantum Theory of Polymers as Solids;1988
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