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154 results
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Self-consistent aspects of x-ray absorption calculations.
Bunău O, Joly Y. Bunău O, et al. Among authors: joly y. J Phys Condens Matter. 2009 Aug 26;21(34):345501. doi: 10.1088/0953-8984/21/34/345501. Epub 2009 Aug 5. J Phys Condens Matter. 2009. PMID: 21715786
Calculating X-ray absorption near-edge structure at very low energy.
Joly Y. Joly Y. J Synchrotron Radiat. 2003 Jan 1;10(Pt 1):58-63. doi: 10.1107/s0909049502017211. Epub 2002 Dec 24. J Synchrotron Radiat. 2003. PMID: 12511792
Structural and electronic evolution of the As(OH)3 molecule in high temperature aqueous solutions: an x-ray absorption investigation.
Testemale D, Hazemann JL, Pokrovski GS, Joly Y, Roux J, Argoud R, Geaymond O. Testemale D, et al. Among authors: joly y. J Chem Phys. 2004 Nov 8;121(18):8973-82. doi: 10.1063/1.1785150. J Chem Phys. 2004. PMID: 15527363
Interplay of inequivalent atomic positions in resonant x-ray diffraction of Fe(3)BO(6).
Beutier G, Ovchinnikova E, Collins SP, Dmitrienko VE, Lorenzo JE, Hodeau JL, Kirfel A, Joly Y, Antonenko AA, Sarkisyan VA, Bombardi A. Beutier G, et al. Among authors: joly y. J Phys Condens Matter. 2009 Jul 1;21(26):265402. doi: 10.1088/0953-8984/21/26/265402. Epub 2009 Jun 11. J Phys Condens Matter. 2009. PMID: 21828471
Full polarization analysis of resonant superlattice and forbidden x-ray reflections in magnetite.
Bland SR, Detlefs B, Wilkins SB, Beale TA, Mazzoli C, Joly Y, Hatton PD, Lorenzo JE, Brabers VA. Bland SR, et al. Among authors: joly y. J Phys Condens Matter. 2009 Dec 2;21(48):485601. doi: 10.1088/0953-8984/21/48/485601. Epub 2009 Oct 30. J Phys Condens Matter. 2009. PMID: 21832526
Full potential x-ray absorption calculations using time dependent density functional theory.
Bunău O, Joly Y. Bunău O, et al. Among authors: joly y. J Phys Condens Matter. 2012 May 30;24(21):215502. doi: 10.1088/0953-8984/24/21/215502. Epub 2012 Apr 25. J Phys Condens Matter. 2012. PMID: 22534142
Effects of dispersion and absorption in resonant Bragg diffraction of x-rays.
Lovesey SW, Scagnoli V, Dobrynin AN, Joly Y, Collins SP. Lovesey SW, et al. Among authors: joly y. J Phys Condens Matter. 2014 Mar 26;26(12):125504. doi: 10.1088/0953-8984/26/12/125504. Epub 2014 Mar 6. J Phys Condens Matter. 2014. PMID: 24599265
FDMX: extended X-ray absorption fine structure calculations using the finite difference method.
Bourke JD, Chantler CT, Joly Y. Bourke JD, et al. Among authors: joly y. J Synchrotron Radiat. 2016 Mar;23(2):551-9. doi: 10.1107/S1600577516001193. Epub 2016 Feb 18. J Synchrotron Radiat. 2016. PMID: 26917143
Full-Potential Simulation of X-ray Raman Scattering Spectroscopy.
Joly Y, Cavallari C, Guda SA, Sahle CJ. Joly Y, et al. J Chem Theory Comput. 2017 May 9;13(5):2172-2177. doi: 10.1021/acs.jctc.7b00203. Epub 2017 Apr 28. J Chem Theory Comput. 2017. PMID: 28430428
Simulation of Surface Resonant X-ray Diffraction.
Joly Y, Abisset A, Bailly A, De Santis M, Fettar F, Grenier S, Mannix D, Ramos AY, Saint-Lager MC, Soldo-Olivier Y, Tonnerre JM, Guda SA, Gründer Y. Joly Y, et al. J Chem Theory Comput. 2018 Feb 13;14(2):973-980. doi: 10.1021/acs.jctc.7b01032. Epub 2018 Jan 8. J Chem Theory Comput. 2018. PMID: 29272111
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