"Use of caps in the auxiliary basis set formulation of the fragment ..."

Dmitri G. Fedorov (2024)

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DOI: 10.1002/JCC.27345

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type: Journal Article

metadata version: 2024-06-18

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Dmitri G. Fedorov:
Use of caps in the auxiliary basis set formulation of the fragment molecular orbital method. J. Comput. Chem. 45(18): 1540-1551 (2024)

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