"Ab initio geometry optimization for large molecules."

Frank Eckert, Peter Pulay, Hans-Joachim Werner (1997)

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DOI: 10.1002/(SICI)1096-987X(199709)18:12<1473::AID-JCC5>3.0.CO;2-G

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type: Journal Article

metadata version: 2025-03-03

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Frank Eckert, Peter Pulay, Hans-Joachim Werner:
Ab initio geometry optimization for large molecules. J. Comput. Chem. 18(12): 1473-1483 (1997)

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