Implementation of a quantum mechanics/molecular mechanics approach in the 
parallel density functional program PARAGAUSS and applications to model copper 
thiolate clusters

Kerdcharoen, T; Birkenheuer, U.; Kruger, S; Woiterski, A; Rosch, N

doi:10.1007/s00214-003-0432-8

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Implementation of a quantum mechanics/molecular mechanics approach in the parallel density functional program PARAGAUSS and applications to model copper thiolate clusters

Kerdcharoen, T., Birkenheuer, U., Kruger, S., Woiterski, A., & Rosch, N. (2003). Implementation of a quantum mechanics/molecular mechanics approach in the parallel density functional program PARAGAUSS and applications to model copper thiolate clusters. THEORETICAL CHEMISTRY ACCOUNTS, 109(6), 285-297. doi:10.1007/s00214-003-0432-8.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-63B3-9 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-63B4-7

Genre: Journal Article

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Creators:
Kerdcharoen, T¹, Author
Birkenheuer, U.², Author
Kruger, S¹, Author
Woiterski, A¹, Author
Rosch, N¹, Author

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1external, ou_persistent22
2Max Planck Institute for the Physics of Complex Systems, Max Planck Society, ou_2117288

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Dates: Date issued: 2003

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Identifiers: DOI: 10.1007/s00214-003-0432-8

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Title: THEORETICAL CHEMISTRY ACCOUNTS

Source Genre: Journal

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Pages: - Volume / Issue: 109 (6) Sequence Number: - Start / End Page: 285 - 297 Identifier: -