Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory - Archive ouverte HAL Access content directly
Journal Articles Journal of Chemical Theory and Computation Year : 2017

Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory

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Submitted on : Monday, April 23, 2018-4:12:03 PM

Last modification on : Friday, March 24, 2023-2:53:07 PM

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hal-01774487 , version 1 (23-04-2018)

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Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, Nicolas Ferré. Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory. Journal of Chemical Theory and Computation, 2017, 13 (2), pp.475 - 487. ⟨10.1021/acs.jctc.6b00827⟩. ⟨hal-01774487⟩

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