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<i>Ab initio</i> molecular dynamics calculations with simple, localized, orthonormal real-space basis setsLiu, Yi; Yarne, Dawn A.; Tuckerman, Mark E. · Physical Review B · 2003
Protonic Defects in Hydrogen Bonded Liquids: Structure and Dynamics in Ammonia and Comparison with Water <sup>†</sup>Liu, Yi; Tuckerman, Mark E. · The Journal of Physical Chemistry B · 2001