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"Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A ..."

Mini Bharati Ahirwar et al. (2024)

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DOI: 10.1002/JCC.27237

access: closed

type: Journal Article

metadata version: 2024-02-29

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Mini Bharati Ahirwar, Subodh Khire, Shridhar R. Gadre, Milind M. Deshmukh:
Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations. J. Comput. Chem. 45(5): 274-283 (2024)

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