Quantum chemistry, band structures and polymers

Jean Marie André

doi:10.1063/1.4730649

Quantum chemistry, band structures and polymers

Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference 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 language	English
Title of host publication	Theory and Applications in Computational Chemistry
Subtitle of host publication	The First Decade of the Second Millennium, International Congress TACC-2012
Publisher	American institute of physics
Pages	109-113
Number of pages	5
Volume	1456
ISBN (Electronic)	9780735410572
DOIs	https://doi.org/10.1063/1.4730649
Publication status	Published - 1 Jan 2012
Event	International Congress in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, TACC 2012 - Pavia, Italy Duration: 2 Sept 2012 → 7 Sept 2012

Conference

Conference	International Congress in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, TACC 2012
Country/Territory	Italy
City	Pavia
Period	2/09/12 → 7/09/12

Keywords

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

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1063/1.4730649

Cite this

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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.",

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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

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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.

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KW - Band Structure

KW - Electrical conductivity of polymers

KW - Electronic structure of condensed matter

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Y2 - 2 September 2012 through 7 September 2012

ER -

Quantum chemistry, band structures and polymers

Abstract

Conference

Keywords

UN SDGs

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