Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid 
Quantum Mechanical/Mechanical Modeling Calculations

Komin, S.; Sebastiani, Daniel

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Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling Calculations

Komin, S., & Sebastiani, D. (2009). Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling Calculations. Journal of Chemical Theory and Computation, 5(6), 1490-1498.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-7634-1 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-7635-0

Genre: Journal Article

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Creators:
Komin, S.¹, Author
Sebastiani, Daniel¹, Author

Affiliations:
1MPI for Polymer Research, Max Planck Society, ou_1309545

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Language(s): eng - English

Dates: Date issued: 2009

Publication Status: Issued

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Identifiers: eDoc: 432231
Other: P-09-239

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Title: Journal of Chemical Theory and Computation

Alternative Title : J. Chem. Theory Comput.

Source Genre: Journal

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Pages: - Volume / Issue: 5 (6) Sequence Number: - Start / End Page: 1490 - 1498 Identifier: -