An elongation method to calculate the electronic structure of non-periodical and periodical polymers

Author:

Imamura Akira,Aoki Yuriko

Publisher

Elsevier BV

Subject

Colloid and Surface Chemistry,Physical and Theoretical Chemistry,Surfaces and Interfaces

Reference32 articles.

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2. M. Dupuis, J.D. Watts, H.O. Villar and G.J.B. Hurst, HONDO version 7.0, QCPE No 544, University of Indiana.

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4. R. Doresi, C. Pisani, C. Roetti, M. Causa and V.R. Saunders, CRYSTAL 88, QCPE No. 577, University of Indiana.

5. A theoretical synthesis of polymers by using uniform localization of molecular orbitals: Proposal of an elongation method

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1. Elongation Method at Semi-empirical and ab initio Levels for Large Systems;International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004);2019-04-29

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