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The Raman spectrum of florencite-(REE) [REEAl<sub>3</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>6</sub>]: An integrated experimental and computational approach.
- Published in:
- Journal of Raman Spectroscopy, 2024, v. 55, n. 3, p. 394, doi. 10.1002/jrs.6640
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- Article
Mg<sub>3</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>12</sub> jeffbenite inclusion in super-deep diamonds is thermodynamically stable at very shallow Earth's depths.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-022-27290-9
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- Article
Author Correction: Mg<sub>3</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>12</sub> jeffbenite inclusion in super-deep diamonds is thermodynamically stable at very shallow Earth's depths.
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- 2023
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- Correction Notice
Mg<sub>3</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>12</sub> jeffbenite inclusion in super-deep diamonds is thermodynamically stable at very shallow Earth's depths.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-30111-2
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- Article
A Grüneisen tensor for rutile and its application to host-inclusion systems.
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- American Mineralogist, 2021, v. 106, n. 10, p. 1586, doi. 10.2138/am-2021-7618
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- Article
Anharmonic Effects on the Thermodynamic Properties of Quartz from First Principles Calculations.
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- Entropy, 2021, v. 23, n. 10, p. 1366, doi. 10.3390/e23101366
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- Article
New insights into the zircon-reidite phase transition.
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- American Mineralogist, 2019, v. 104, n. 6, p. 830, doi. 10.2138/am-2019-6827
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- Article
Raman elastic geobarometry for anisotropic mineral inclusions.
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- American Mineralogist, 2018, v. 103, n. 11, p. 1869, doi. 10.2138/am-2018-6625CCBY
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- Article
Depth of formation of super-deep diamonds: Raman barometry of CaSiO<sub>3</sub>-walstromite inclusions.
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- American Mineralogist, 2018, v. 103, n. 1, p. 69, doi. 10.2138/am-2018-6184
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- Article
Thermo-elastic behavior of grossular garnet at high pressures and temperatures.
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- American Mineralogist, 2017, v. 102, n. 4, p. 851, doi. 10.2138/am-2017-5855
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- Article
Raman modes in Pbca enstatite (Mg<sub>2</sub>Si<sub>2</sub>O<sub>6</sub>): an assignment by quantum mechanical calculation to interpret experimental results.
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- Journal of Raman Spectroscopy, 2016, v. 47, n. 10, p. 1247, doi. 10.1002/jrs.4942
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- Article
First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets.
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- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1439, doi. 10.1002/jcc.23941
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- Article
A comparison between ab initio calculated and measured Raman spectrum of triclinic albite (NaAlSi<sub>3</sub>O<sub>8</sub>).
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- Journal of Raman Spectroscopy, 2015, v. 46, n. 5, p. 501, doi. 10.1002/jrs.4670
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- Article
Raman spectrum of NaAlSi<sub>2</sub>O<sub>6</sub> jadeite. A quantum mechanical simulation.
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- Journal of Raman Spectroscopy, 2014, v. 45, n. 8, p. 703, doi. 10.1002/jrs.4519
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- Article
Toward an accurate ab initio estimation of compressibility and thermal expansion of diamond in the [0, 3000 K] temperature and [0, 30 GPa] pressures ranges, at the hybrid HF/DFT theoretical level.
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- 2014
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- Abstract
Ab-initio determination of high-pressure and high-temperature thermoelastic and thermodynamic properties of low-spin (Mg<sub>1-x</sub>Fe<sub>x</sub>)O ferropericlase with x in the range [0.06, 0.59].
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- American Mineralogist, 2013, v. 98, n. 7, p. 1270, doi. 10.2138/am.2013.4392
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- Article
Simulation of vibrational spectra of crystals by ab initio calculations: an invaluable aid in the assignment and interpretation of the Raman signals. The case of jadeite (NaAlSi<sub>2</sub>O<sub>6</sub>) Simulation of vibrational spectra of crystals by ab initio calculations: an invaluable aid in the assignment and interpretation of the Raman signals. The case of jadeite (NaAlSi<sub>2</sub>O<sub>6</sub>)
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- Journal of Raman Spectroscopy, 2012, v. 43, n. 11, p. 1567, doi. 10.1002/jrs.4040
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- Article