The observation of oxygen—oxygen interactions in ice

In this article, we present a series of first principle density functional theory simulation results which have, reproduced the vibrational spectra for ice Ih and VIII obtained by neutron scattering. Detailed analysis of the pressure-dependent simulation results shows that there is an oxygen–oxygen...

وصف كامل

التفاصيل البيبلوغرافية
الحاوية / القاعدة:	New Journal of Physics
المؤلفون الرئيسيون:	Shun Chen, Zhiping Xu, Jichen Li
التنسيق:	مقال
اللغة:	الإنجليزية
منشور في:	IOP Publishing 2016-01-01
الموضوعات:	neutron scattering water hydrogen bonding ab initio DFT
الوصول للمادة أونلاين:	https://doi.org/10.1088/1367-2630/18/2/023052

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