The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

Author:

Adams Sam,de Castro Pablo,Echenique Pablo,Estrada Jorge,Hanwell Marcus D,Murray-Rust Peter,Sherwood Paul,Thomas Jens,Townsend Joe

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Reference28 articles.

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2. Gordon MS, Schmidt MW: Advances in electronic structure theory: GAMESS a decade later. Theory and Applications of Computational Chemistry: The first forty years. Edited by: Dykstra CE, Frenking G, Kim KS. 2005, Scuseria, Amsterdam: Elsevier, 1167-1189.

3. Guest MF, Bush IJ, Van Dam HJJ, Sherwood P, Thomas JMH, Van Lenthe JH, Havenith RWA, Kendrick J: The GAMESS-UK electronic structure package: algorithms, developments and applications. Molecular Physics. 2005, 103 (6): 719-747. 10.1080/00268970512331340592.

4. Valiev M, Bylaska EJ, Govind N, Kowalski K, Straatsma TP, van Dam HJJ, Wang D, Nieplocha J, Apra E, Windus TL, de Jong WA: NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations. Comput Phys Commun. 2010, 181: 1477-10.1016/j.cpc.2010.04.018.

5. Karlström G, Lindh R, Malmqvist PA, Roos BO, Ryde U, Veryazov V, Widmark PO, Cossi M, Schimmelpfennig B, Neogrady P, Seijo L: MOLCAS: A program package for computational chemistry. Comp Mat Sci. 2003, 28: 222-239. 10.1016/S0927-0256(03)00109-5.

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