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First published 2012-7

IVIChem: An integrative web environment for computational chemistry

Víctor Sojo, Alexander Peraza, Fernando Ruette [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2001-2

Computational Aspects of Combinatorial Quantum Chemistry

Paul G. Mezey

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2009-4

Small (Poly)Unsaturated Oxygen Containing Ions and Molecules: A Brief Assessment of Their Thermochemistry Based on Computational Chemistry

John L. Holmes, Karl J. Jobst, Johan K. Terlouw

European Journal of Mass Spectrometry

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Research article

First published 1974-1

An Off-Line Clinical Chemistry Computer System

P. Vitek, S. Chiu, M. J. R. Healy [...]

Annals of Clinical Biochemistry: International Journal of Laboratory Medicine

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Research article

First published 2014-6

A computational chemistry approach for friction reduction of automotive engines

Yusuke Morita, Satoshi Jinno, Motoichi Murakami [...]

International Journal of Engine Research

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Research article

First published 1998-09

ChemIo: High Performance Parallel I/o for Computational Chemistry Applications

Jarek Nieplocha, Ian Foster, Rick A. Kendall

The International Journal of High Performance Computing Applications

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Research article

First published 2007-2

Theory and Experiment in Mass Spectrometry: A Perspective on the Relationship between Computational Modelling and Experiment in Gas-Phase Ion Chemistry

Einar Uggerud

European Journal of Mass Spectrometry

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Research article

First published 1995-09

Detailed Chemistry Modeling of Laminar Diffusion Flames On Parallel Computers

Alexandre Ern, Craig C. Douglas, Mitchell D. Smooke

The International Journal of High Performance Computing Applications

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Research article

First published 2022-4

Jiedu Huoxue Decoction for Cytokine Storm and Thrombosis in Severe COVID-19: A Combined Bioinformatics and Computational Chemistry Approach

Ying Liu, Han Yan, Hui-bin Jia [...]

Natural Product Communications

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Research article

First published 2006-08

Testing the Potential for Computational Chemistry to Quantify Biophysical Properties of the Non-Proteinaceous Amino Acids

Yi Lu, Stephen Freeland

Astrobiology

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