(Q45950414)

18 December 2017

http://europepmc.org/abstract/MED/27500805

title

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach. (English)

1 reference

18 December 2017

http://europepmc.org/abstract/MED/27500805

0 references

1 reference

Rafael Gómez-Bombarelli

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27500805%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

Alán Aspuru-Guzik

21

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Jorge Aguilera-Iparraguirre

12 June 2020

2

object named as

Jorge Aguilera-Iparraguirre

1 reference

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12 June 2020

3

Timothy D Hirzel

1 reference

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12 June 2020

4

David Duvenaud

1 reference

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12 June 2020

author name string

Dougal Maclaurin

5

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12 June 2020

Martin A Blood-Forsythe

6

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12 June 2020

Hyun Sik Chae

7

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12 June 2020

Markus Einzinger

8

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12 June 2020

Dong-Gwang Ha

9

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12 June 2020

Tony Wu

10

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12 June 2020

Georgios Markopoulos

11

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12 June 2020

Soonok Jeon

12

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12 June 2020

Hosuk Kang

13

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12 June 2020

Hiroshi Miyazaki

14

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12 June 2020

Masaki Numata

15

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12 June 2020

Sunghan Kim

16

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12 June 2020

Wenliang Huang

17

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12 June 2020

Seong Ik Hong

18

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12 June 2020

Marc Baldo

19

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12 June 2020

Ryan P Adams

20

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12 June 2020

language of work or name

English

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publication date

8 August 2016

1 reference

18 December 2017

http://europepmc.org/abstract/MED/27500805

published in

Nature Materials

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27500805%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

volume

15

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12 June 2020

issue

10

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12 June 2020

page(s)

1120-1127

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27500805%20AND%20SRC:MED&resulttype=core&format=json

https://scigraph.springernature.com/pub.10.1038/nmat4717

12 June 2020

exact match

0 references

cites work

Modeling Choices for Virtual Screening Hit Identification

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12 December 2020

Single-reference ab initio methods for the calculation of excited states of large molecules

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12 December 2020

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12 December 2020

Triplet harvesting with 100% efficiency by way of thermally activated delayed fluorescence in charge transfer OLED emitters.

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12 December 2020

Virtual screening of chemical libraries

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12 December 2020

The high-throughput highway to computational materials design.

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12 December 2020

Thermally activated delayed fluorescence as a cycling process between excited singlet and triplet states: application to the fullerenes

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12 December 2020

Novel Thermally Activated Delayed Fluorescence Materials-Thioxanthone Derivatives and Their Applications for Highly Efficient OLEDs

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12 December 2020

Thermally activated delayed fluorescence materials towards the breakthrough of organoelectronics

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12 December 2020

Benzofurocarbazole and benzothienocarbazole as donors for improved quantum efficiency in blue thermally activated delayed fluorescent devices.

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12 December 2020

Simulated evolution of fluorophores for light emitting diodes

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12 December 2020

Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics

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12 December 2020

Estimation of the size of drug-like chemical space based on GDB-17 data.

1 reference

12 December 2020

Nearly 100% internal quantum efficiency in undoped electroluminescent devices employing pure organic emitters.

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12 December 2020

A search model for topological insulators with high-throughput robustness descriptors

1 reference

12 December 2020

Design of efficient thermally activated delayed fluorescence materials for pure blue organic light emitting diodes.

1 reference

12 December 2020

Highly efficient blue electroluminescence based on thermally activated delayed fluorescence.

1 reference

12 December 2020

Extended-connectivity fingerprints

1 reference

12 December 2020

Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations

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12 December 2020

A metal-free organic-inorganic aqueous flow battery

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12 December 2020

Combinatorial design of copolymer donor materials for bulk heterojunction solar cells.

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12 December 2020

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

1 reference

12 December 2020

Theoretical rationalization of the singlet-triplet gap in OLEDs materials: impact of charge-transfer character.

1 reference

12 December 2020

Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds

1 reference

12 December 2020

What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery

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7 January 2021

Computational design of molecules for an all-quinone redox flow battery.

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7 January 2021

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

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7 January 2021

Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project

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7 January 2021

Highly efficient phosphorescent emission from organic electroluminescent devices

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7 January 2021

Transition Metal and Rare Earth Compounds

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7 January 2021

Highly Efficient TADF OLEDs: How the Emitter-Host Interaction Controls Both the Excited State Species and Electrical Properties of the Devices to Achieve Near 100% Triplet Harvesting and High Efficiency

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7 January 2021

Einstein coefficients, cross sections, f values, dipole moments, and all that

1 reference

7 January 2021

On Predicting the Excited-State Properties of Thermally Activated Delayed Fluorescence Emitters

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7 January 2021

Bringing the MMFF force field to the RDKit: implementation and validation

1 reference

7 January 2021

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

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7 January 2021