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"Quick scheme for evaluation of atomic charges in arbitrary ..."

Alexander V. Larin, W. J. Mortier, Daniel P. Vercauteren (2007)

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DOI: 10.1002/JCC.20660

access: closed

type: Journal Article

metadata version: 2020-05-30

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Alexander V. Larin, W. J. Mortier, Daniel P. Vercauteren:
Quick scheme for evaluation of atomic charges in arbitrary aluminophosphate sieves on the basis of electron densities calculated with DFT methods. J. Comput. Chem. 28(10): 1695-1703 (2007)

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