Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: the Zn(II) ion in aqueous solution as a case study.
第一作者:
Nadia,Rega
第一单位:
Dipartimento di Chimica Paolo Corradini, Universita' Federico II Napoli, Napoli, Italy. nadia.rega@unina.it
作者:
医学主题词
分子构象(Molecular Conformation);分子动力学模拟(Molecular Dynamics Simulation);结果可重复性(Reproducibility of Results);溶液(Solutions);温度(Temperature);振动(Vibration);水(Water);X射线吸收光谱(X-Ray Absorption Spectroscopy);锌(Zinc)
DOI
10.1063/1.3549827
PMID
21341856
发布时间
2013-11-21
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