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Monte Carlo-Based Prediction of Residual Dipolar Couplings in Weakly Aligned Molecules

Year: 2026

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.6c00299

Authors: David Elsing, Fabian Hoffmann, Burkhard Luy, Mariana Kozlowska

Institution: Karlsruhe Institute of Technology

Language: English

Topic: Molecular spectroscopy and chirality

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: closed

Funders: Deutsche Forschungsgemeinschaft, Helmholtz Association

Awards: G582076291, G8116869047

OpenAlex ID: W7165107007

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Cites: 74

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