The quantum chemical search for novel materials and the issue of data processing: The InfoMol project-Reference-Cited by-同舟云学术

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The quantum chemical search for novel materials and the issue of data processing: The InfoMol project

Published:2016-07 Issue: Volume:15 Page:65-73
ISSN:1877-7503
Container-title:Journal of Computational Science
language:en
Short-container-title:Journal of Computational Science

Author:

Lüthi Hans P.,Heinen Stefan,Schneider Gisbert,Glöss Andreas,Brändle Martin P.,King Rollin A.,Pyzer-Knapp Edward,Alharbi Fahhad H.,Kais Sabre

Funder

Qatar Environment and Energy Research Institute

Publisher

Elsevier BV

Subject

Modelling and Simulation,General Computer Science,Theoretical Computer Science

Reference23 articles.

1. The Harvard Clean Energy Project: large-scale computational screening and design of organic photovoltaics on the world community grid;Hachmann;J. Phys. Chem. Lett.,2011

2. Statistical analysis of quantum chemical data using generalized XML/CML archives for the derivation of molecular design rules;Elsener;Chimia,2007

3. Gaussian 98, Revision A.9;Frisch,1998

4. Chemical markup, xml, and the world wide web. 4. cml schema;Murray-Rust;Chem. Inf. Comput. Sci.,2003

5. XML, www.w3.org/TR/xml.

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2. Alloys and Environmental Related Issues;Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications;2017-07-05

3. Solar Cell Materials by Design: Hybrid Pyroxene Corner‐Sharing VO 4 Tetrahedral Chains;ChemSusChem;2017-03-21

4. Why do the Togni reagent and some of its derivatives exist in the high-energy hypervalent iodine form? New insight into the origins of their kinetic stability;Physical Chemistry Chemical Physics;2017

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