(Q51607678)

8 April 2018

title

Boosting theoretical zeolitic framework generation for the determination of new materials structures using GPU programming. (English)

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8 April 2018

Laurent A Baumes

1

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Avel·lí Corma Canós

object named as

Avelino Corma

5

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Pierre Collet

4

object named as

Pierre Collet

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8 April 2018

author name string

Frederic Kruger

2

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8 April 2018

Santiago Jimenez

3

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8 April 2018

language of work or name

English

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publication date

31 January 2011

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8 April 2018

Physical Chemistry Chemical Physics

published in

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8 April 2018

volume

13

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8 April 2018

issue

10

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8 April 2018

page(s)

4674-4678

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8 April 2018

A Molecular mechanism for the chemoselective hydrogenation of substituted nitroaromatics with nanoparticles of gold on TiO2 catalysts: a cooperative effect between gold and the support

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Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation.

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Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

21 January 2018

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The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation

21 January 2018

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Active Sites for H2Adsorption and Activation in Au/TiO2and the Role of the Support†

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21 January 2018

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Determination of 4-connected framework crystal structures by simulated annealing

21 January 2018

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Identifiers

DOI

10.1039/C0CP02833A

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8 April 2018

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8 April 2018