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Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme

Zuzana Jirousková, Radka Svobodová Vareková, Jakub Vanek, Jaroslav Koca. Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme. Journal of Computational Chemistry, 30(7):1174-1178, 2009. [doi]

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