On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond 
directionality

Ireta, Joel; Neugebauer, Jörg; Scheffler, Matthias

doi:10.1021/jp0377073

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On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality

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Ireta, Joel
Theory, Fritz Haber Institute, Max Planck Society;

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Neugebauer, Jörg
Theory, Fritz Haber Institute, Max Planck Society;

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Scheffler, Matthias
Theory, Fritz Haber Institute, Max Planck Society;

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Ireta, J., Neugebauer, J., & Scheffler, M. (2004). On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality. The Journal of Physical Chemistry A, 108(26), 5692-5698. doi:10.1021/jp0377073.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-0C4D-A

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