j-ice: a jmol interface for crystallographic and electronic properties (SourceForge net)
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j-ice: a jmol interface for crystallographic and electronic properties
J Ice: A Jmol Interface For Crystallographic And Electronic Properties, supplied by SourceForge net, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 90 stars, based on 1 article reviews
J Ice: A Jmol Interface For Crystallographic And Electronic Properties, supplied by SourceForge net, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/j-ice%3A+a+jmol+interface+for+crystallographic+and+electronic+properties/j+ice++a+jmol+interface+for+crystallographic+and+electronic+properties/10__2138_slash_am__2011__3845-64-32-43
Average 90 stars, based on 1 article reviews
j-ice: a jmol interface for crystallographic and electronic properties - by Bioz Stars,
2026-09
90/100 stars
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other:Article Title: Quantum-mechanical calculations of the Raman spectra of Mg- and Fe-cordierite Article Snippet: Quantum-mechanical calculations with a hybrid HF/DFT Hamiltonian (B3LYP) model yielded the Raman-active vibrational modes of the Mgand Fe-cordierite structure.. Maximum and mean deviation between experimentally derived bands and calculated modes of synthetic Mgand natural Fe-rich cordierite are ±19 and 7 cm–1.. Most of the observed bands could be related to specific vibrational modes of tetrahedral and octahedral sites of the cordierite structure, although the large number of Ramanactive modes (87) prevents a complete assignment. |