"A new module for constrained multi-fragment geometry optimization in ..."

Victor Vysotskiy, Jonas Boström, Valera Veryazov (2013)

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DOI: 10.1002/JCC.23428

access: closed

type: Journal Article

metadata version: 2023-09-30

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Victor Vysotskiy, Jonas Boström, Valera Veryazov:
A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package. J. Comput. Chem. 34(30): 2657-2665 (2013)

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