Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional-Reference-Cited by-同舟云学术

Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional

Published:2015-10 Issue: Volume:204 Page:159-167
ISSN:0368-2048
Container-title:Journal of Electron Spectroscopy and Related Phenomena
language:en
Short-container-title:Journal of Electron Spectroscopy and Related Phenomena

Author:

Yanagisawa Susumu,Okuma Koji,Inaoka Takeshi,Hamada Ikutaro

Funder

Grants-in-Aid for Scientific Research

Young Scientists

Scientific Research on Innovative Areas “3D Active-Site Science”

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Spectroscopy,Condensed Matter Physics,Atomic and Molecular Physics, and Optics,Radiation,Electronic, Optical and Magnetic Materials

Reference135 articles.

1. Organic semiconductors: A theoretical characterization of the basic parameters governing charge transport

2. Density-functional study for the oligomers of poly(para-phenylene): Band structures and dielectric tensors

3. Electronic, optical, and structural properties of oligophenylene molecular crystals under high pressure: Anab initioinvestigation

4. Understanding the Structure and Electronic Properties of Molecular Crystals Under Pressure: Application of Dispersion Corrected DFT to Oligoacenes

5. Electronic properties of oligoacenes from first principles

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