Choosing an appropriate model chemistry in a big data context: Application to dative bonding-Reference-Cited by-同舟云学术

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Choosing an appropriate model chemistry in a big data context: Application to dative bonding

Published:2016-06 Issue: Volume:1085 Page:46-55
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Almas Qammar L.,Keefe Benjamin L.,Profitt Trevor,Pearson Jason K.

Funder

Natural Sciences and Engineering Research Council

Canada Foundation for Innovation

Atlantic Canada Opportunities Agency

Newfoundland & Labrador, Nova Scotia, and New Brunswick

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference91 articles.

1. Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data;Clark;J. Cheminform.,2015

2. Chempound – a Web 2.0-inspired repository for physical science data;Adams;J. Digit. Inform.,2012

3. The semantics of Chemical Markup Language (CML): dictionaries and conventions;Murray-Rust;J. Cheminform.,2011

4. The semantics of Chemical Markup Language (CML) for computational chemistry: CompChem;Phadungsukanan;J. Cheminform.,2012

5. The Quixote project: collaborative and open quantum chemistry data management in the Internet age;Adams;J. Cheminform.,2011

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Atomistic Details of Methyl Linoleate Pyrolysis: Direct Molecular Dynamics Simulation of Converting Biodiesel to Petroleum Products;Energies;2024-05-20

2. Novel Bonding Mode in Phosphine Haloboranes;ACS Omega;2018-01-19

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