1,721,148 research outputs found
Minerals at high pressure. Mechanics of compression from quantum mechanical calculations in a case study: the beryl (Al4Be6Si12O36)
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Author Correction: Mg3Al2Si3O12 jeffbenite inclusion in super-deep diamonds is thermodynamically stable at very shallow Earth’s depths (Scientific Reports, (2023), 13, 1, (83), 10.1038/s41598-022-27290-9)
No full textThe Acknowledgments section in the original version of this Article was incomplete. “F.N. thanks the ERC Starting Grant n. 307322.” now reads: “F.N. thanks the ERC Starting Grant n. 307322. D.B. warmly acknowledges financial support by the Italian MIUR PRIN2017 (Project Number 2017KY5ZX8).” The original Article has been corrected
Equation of state of beryl: A comparison between experimental measurements and first principle, quantum-mechanical computations
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Quantum-mechanical modeling of minerals at high-pressures. The role of the Hamiltonian in a case study: the beryl (Al4Be6Si12O36)
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Ab initio quantum-mechanical modeling of pyrophyllite [Al2Si4O10(OH)2] and talc [Mg3Si4O10(OH)2] surfaces
No full textFirst principles HF/DT calculations of structure and compressibility of an Al-defective spinel
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