"Software news and updates electronegativity equalization method: ..."

Zuzana Jirousková et al. (2009)

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DOI: 10.1002/JCC.21142

access: closed

type: Journal Article

metadata version: 2021-09-23

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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. J. Comput. Chem. 30(7): 1174-1178 (2009)

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