Quantum chemistry, band structures and polymers

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Abstract

A short review of the long way from the first calculations on polyenes after the second world war to the recent electronic devices like Organic Light Emitting Diodes or Photovoltaic Cells is given. It shows how quantum chemical methods on one side and synthesis or experiments have (or should have) interacted as incentives to new methods and technologies.

Original languageEnglish
Title of host publicationTheory and Applications in Computational Chemistry
Subtitle of host publicationThe First Decade of the Second Millennium, International Congress TACC-2012
PublisherAmerican institute of physics
Pages109-113
Number of pages5
Volume1456
ISBN (Electronic)9780735410572
DOIs
Publication statusPublished - 1 Jan 2012
EventInternational Congress in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, TACC 2012 - Pavia, Italy
Duration: 2 Sep 20127 Sep 2012

Conference

ConferenceInternational Congress in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, TACC 2012
CountryItaly
CityPavia
Period2/09/127/09/12

Fingerprint

incentives
photovoltaic cells
quantum chemistry
light emitting diodes
polymers
synthesis
cells
electronics

Keywords

  • Ab initio calculations
  • Band Structure
  • Electrical conductivity of polymers
  • Electronic structure of condensed matter

Cite this

André, J. M. (2012). Quantum chemistry, band structures and polymers. In Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, International Congress TACC-2012 (Vol. 1456, pp. 109-113). American institute of physics. https://doi.org/10.1063/1.4730649
André, Jean Marie. / Quantum chemistry, band structures and polymers. Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, International Congress TACC-2012. Vol. 1456 American institute of physics, 2012. pp. 109-113
@inproceedings{bc9c588c03034bb088af67ce25c0eb23,
title = "Quantum chemistry, band structures and polymers",
abstract = "A short review of the long way from the first calculations on polyenes after the second world war to the recent electronic devices like Organic Light Emitting Diodes or Photovoltaic Cells is given. It shows how quantum chemical methods on one side and synthesis or experiments have (or should have) interacted as incentives to new methods and technologies.",
keywords = "Ab initio calculations, Band Structure, Electrical conductivity of polymers, Electronic structure of condensed matter",
author = "Andr{\'e}, {Jean Marie}",
year = "2012",
month = "1",
day = "1",
doi = "10.1063/1.4730649",
language = "English",
volume = "1456",
pages = "109--113",
booktitle = "Theory and Applications in Computational Chemistry",
publisher = "American institute of physics",
address = "United States",

}

André, JM 2012, Quantum chemistry, band structures and polymers. in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, International Congress TACC-2012. vol. 1456, American institute of physics, pp. 109-113, International Congress in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, TACC 2012, Pavia, Italy, 2/09/12. https://doi.org/10.1063/1.4730649

Quantum chemistry, band structures and polymers. / André, Jean Marie.

Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, International Congress TACC-2012. Vol. 1456 American institute of physics, 2012. p. 109-113.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

TY - GEN

T1 - Quantum chemistry, band structures and polymers

AU - André, Jean Marie

PY - 2012/1/1

Y1 - 2012/1/1

N2 - A short review of the long way from the first calculations on polyenes after the second world war to the recent electronic devices like Organic Light Emitting Diodes or Photovoltaic Cells is given. It shows how quantum chemical methods on one side and synthesis or experiments have (or should have) interacted as incentives to new methods and technologies.

AB - A short review of the long way from the first calculations on polyenes after the second world war to the recent electronic devices like Organic Light Emitting Diodes or Photovoltaic Cells is given. It shows how quantum chemical methods on one side and synthesis or experiments have (or should have) interacted as incentives to new methods and technologies.

KW - Ab initio calculations

KW - Band Structure

KW - Electrical conductivity of polymers

KW - Electronic structure of condensed matter

UR - http://www.scopus.com/inward/record.url?scp=85017653521&partnerID=8YFLogxK

U2 - 10.1063/1.4730649

DO - 10.1063/1.4730649

M3 - Conference contribution

VL - 1456

SP - 109

EP - 113

BT - Theory and Applications in Computational Chemistry

PB - American institute of physics

ER -

André JM. Quantum chemistry, band structures and polymers. In Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, International Congress TACC-2012. Vol. 1456. American institute of physics. 2012. p. 109-113 https://doi.org/10.1063/1.4730649