These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
135 related articles for article (PubMed ID: 11262431)
1. Systematic ab initio study of the compressibility of silicate garnets. Milman V; Akhmatskaya EV; Nobes RH; Winkler B; Pickard CJ; White JA Acta Crystallogr B; 2001 Apr; 57(Pt 2):163-77. PubMed ID: 11262431 [TBL] [Abstract][Full Text] [Related]
2. High pressure elastic properties of minerals from ab initio simulations: the case of pyrope, grossular and andradite silicate garnets. Erba A; Mahmoud A; Belmonte D; Dovesi R J Chem Phys; 2014 Mar; 140(12):124703. PubMed ID: 24697466 [TBL] [Abstract][Full Text] [Related]
3. The vanadate garnet Ca Tokuda M; Yoshiasa A; Mashimo T; Iishi K; Nakatsuka A Acta Crystallogr C Struct Chem; 2018 Apr; 74(Pt 4):460-464. PubMed ID: 29620030 [TBL] [Abstract][Full Text] [Related]
4. Ab initio simulation of the IR spectra of pyrope, grossular, and andradite. Zicovich-Wilson CM; Torres FJ; Pascale F; Valenzano L; Orlando R; Dovesi R J Comput Chem; 2008 Oct; 29(13):2268-78. PubMed ID: 18612995 [TBL] [Abstract][Full Text] [Related]
5. Understanding of bonding and mechanical characteristics of cementitious mineral tobermorite from first principles. Tunega D; Zaoui A J Comput Chem; 2011 Jan; 32(2):306-14. PubMed ID: 20662080 [TBL] [Abstract][Full Text] [Related]
6. Crystal structures of K Bell AMT; Henderson CMB Acta Crystallogr B Struct Sci Cryst Eng Mater; 2018 Jun; 74(Pt 3):274-286. PubMed ID: 29927390 [TBL] [Abstract][Full Text] [Related]
7. 29Si chemical shift anisotropies in calcium silicates from high-field 29Si MAS NMR spectroscopy. Hansen MR; Jakobsen HJ; Skibsted J Inorg Chem; 2003 Apr; 42(7):2368-77. PubMed ID: 12665372 [TBL] [Abstract][Full Text] [Related]
8. Ab initio calculations on the five-membered alumino-silicate framework rings model: implications for dissolution in alkaline solutions. Xu H; Van Deventer JS Comput Chem; 2000 May; 24(3-4):391-404. PubMed ID: 10816009 [TBL] [Abstract][Full Text] [Related]
9. Incorporation of trivalent cations in synthetic garnets A3B5O12 (A = Y, Lu-La, B = Al, Fe, Ga). Maglia F; Buscaglia V; Gennari S; Ghigna P; Dapiaggi M; Speghini A; Bettinelli M J Phys Chem B; 2006 Apr; 110(13):6561-8. PubMed ID: 16570955 [TBL] [Abstract][Full Text] [Related]
10. First-principles calculation of the 17O NMR parameters of a calcium aluminosilicate glass. Benoit M; Profeta M; Mauri F; Pickard CJ; Tuckerman ME J Phys Chem B; 2005 Apr; 109(13):6052-60. PubMed ID: 16851665 [TBL] [Abstract][Full Text] [Related]
11. O triclusters revisited: classical MD and quantum cluster results for glasses of composition (Al(2)O(3))2(SiO(2)). Tossell JA; Horbach J J Phys Chem B; 2005 Feb; 109(5):1794-7. PubMed ID: 16851160 [TBL] [Abstract][Full Text] [Related]
12. The boson peak of silicate glasses: the role of Si-O, Al-O, and Si-N bonds. Richet NF; Kawaji H; Rouxel T J Chem Phys; 2010 Jul; 133(4):044510. PubMed ID: 20687666 [TBL] [Abstract][Full Text] [Related]
13. Pressure-Induced Coordination Changes in a Pyrolitic Silicate Melt From Ab Initio Molecular Dynamics Simulations. Solomatova NV; Caracas R J Geophys Res Solid Earth; 2019 Nov; 124(11):11232-11250. PubMed ID: 32025456 [TBL] [Abstract][Full Text] [Related]
14. Calculation of bridging oxygen 17O quadrupolar coupling parameters in alkali silicates: a combined ab initio investigation. Clark TM; Grandinetti PJ Solid State Nucl Magn Reson; 2005 Jun; 27(4):233-41. PubMed ID: 15799881 [TBL] [Abstract][Full Text] [Related]
15. Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides. Gibbs GV; Downs RT; Cox DF; Rosso KM; Ross NL; Kirfel A; Lippmann T; Morgenroth W; Crawford TD J Phys Chem A; 2008 Sep; 112(37):8811-23. PubMed ID: 18714960 [TBL] [Abstract][Full Text] [Related]
16. Calculation of the Structural, Energetic, and Spectral Properties of Alumoxane and Aluminosilicate "Drum" Molecules. Tossell JA Inorg Chem; 1998 May; 37(9):2223-2226. PubMed ID: 11670378 [TBL] [Abstract][Full Text] [Related]
17. Si segregation at Fe grain boundaries analyzed by ab initio local energy and local stress. Bhattacharya SK; Kohyama M; Tanaka S; Shiihara Y J Phys Condens Matter; 2014 Sep; 26(35):355005. PubMed ID: 25077891 [TBL] [Abstract][Full Text] [Related]
18. Thermodynamic consistencies and anomalies among end-member silicate garnets. Glasser L Inorg Chem; 2014 Sep; 53(17):9322-5. PubMed ID: 25115951 [TBL] [Abstract][Full Text] [Related]
19. New lanthanide silicates based on anionic silicate chain, layer, and framework prepared under high-temperature and high-pressure conditions. Zhao X; Li J; Chen P; Li Y; Chu Q; Liu X; Yu J; Xu R Inorg Chem; 2010 Nov; 49(21):9833-8. PubMed ID: 20883024 [TBL] [Abstract][Full Text] [Related]
20. Pressure effect on elastic anisotropy of crystals from ab initio simulations: the case of silicate garnets. Mahmoud A; Erba A; Doll K; Dovesi R J Chem Phys; 2014 Jun; 140(23):234703. PubMed ID: 24952556 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]