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"Trends of the bonding effect on the performance of DFT methods in electric ..."

Christos Christodouleas, Demetrios Xenides, Theodore E. Simos (2010)

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DOI: 10.1002/JCC.21328

access: closed

type: Journal Article

metadata version: 2021-10-14

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Christos Christodouleas, Demetrios Xenides, Theodore E. Simos:
Trends of the bonding effect on the performance of DFT methods in electric properties calculations: A pattern recognition and metric space approach on some XY₂ (X = O, S and Y = H, O, F, S, Cl) molecules. J. Comput. Chem. 31(2): 412-420 (2010)

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