Yayıncı "Amer Chemical Soc" PubMed İndeksli Yayınlar Koleksiyonu için listeleme
Toplam kayıt 2, listelenen: 1-2
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Chemical Reactivity Perspective into the Group 2B Metals Halides
(Amer Chemical Soc, 2016)Chemical reactivity descriptors within the conceptual density functional theory can be used to understand the nature of the interactions between two monomers of the Group 2B metal halides. This information might be valuable ... -
Structure and Raman Spectra in Cryolitic Melts: Simulations with an ab Initio Interaction Potential
(Amer Chemical Soc, 2014)The Raman spectra of cryolitic melts have been calculated from molecular dynamics computer simulations using a polarizable ionic potential obtained by force-fitting to ab initio electronic structure calculations. Simulations ...