Bonales, L. J., Colmenero, F., Cobos, J., Timón, V. (2016) Spectroscopic Raman characterization of rutherfordine: a combined DFT and experimental study. Physical Chemistry Chemical Physics, 18 (24). 16575-16584 doi:10.1039/c6cp01510g

References Listed

These are the references the publisher has listed as being connected to the article. Please check the article itself for the full list of references which may differ. Not all references are currently linkable within the Digital Library.

	SKB-91, Final Disposal of spent nuclear fuel, Importance of the bedrock for safety, Report 92-20, May, 1992
	Ewing, Rodney C. (2015) Long-term storage of spent nuclear fuel. Nature Materials, 14 (3). 252-257 doi:10.1038/nmat4226
	Shoesmith, D.W. (2000) Fuel corrosion processes under waste disposal conditions. Journal of Nuclear Materials, 282 (1). 1-31 doi:10.1016/s0022-3115(00)00392-5
	Not Yet Imported: Nuclear Technology - journal-article : 10.13182/NT98-A2863 If you would like this item imported into the Digital Library, please contact us quoting Journal ID 60088
	Christensen, Hilbert, Sunder, S. (1996) An evaluation of water layer thickness effective in the oxidation of UO2 fuel due to radiolysis of water. Journal of Nuclear Materials, 238 (1). 70-77 doi:10.1016/s0022-3115(96)00342-x
	Not Yet Imported: Central Europe - journal-article : 10.1179/174582108X292803 If you would like this item imported into the Digital Library, please contact us quoting Journal ID 12638
	Amme, M, Renker, B, Schmid, B, Feth, M.P, Bertagnolli, H, Döbelin, W (2002) Raman microspectrometric identification of corrosion products formed on UO2 nuclear fuel during leaching experiments. Journal of Nuclear Materials, 306 (2). 202-212 doi:10.1016/s0022-3115(02)01291-6
	Rey, A., Giménez, J., Casas, I., Clarens, F., de Pablo, J. (2008) Secondary phase formation on UO2 in phosphate media. Applied Geochemistry, 23 (8) 2249-2255 doi:10.1016/j.apgeochem.2008.03.008
	Lousada, Cláudio M., Trummer, Martin, Jonsson, Mats (2013) Reactivity of H2O2 towards different UO2-based materials: The relative impact of radiolysis products revisited. Journal of Nuclear Materials, 434 (1). 434-439 doi:10.1016/j.jnucmat.2011.06.003
	Frondel (1956) Am. Mineral. 41, 539
	Not Yet Imported: Journal of GEOsciences - journal-article : 10.3190/jgeosci.163 If you would like this item imported into the Digital Library, please contact us quoting Journal ID 42404
	Bruno, J., Ewing, R. C. (2006) Spent Nuclear Fuel. Elements, 2 (6) 343-349 doi:10.2113/gselements.2.6.343
	Raman spectroscopy applied to Earth sciences and cultural heritage, ed. J. Dubessy, M. C. Caumon and F. Rull, European Mineralogical Union, 2011
	Handbook of Vibrational Spectroscopy: Vibrational Raman Spectroscopy of High-temperature Superconductors, ed. J. M. Chalmers and P. R. Griffiths, John Wiley & Sons Ltd., 2002
	Muñoz-Iglesias, Victoria, Prieto-Ballesteros, Olga, Bonales, Laura J. (2014) Conspicuous assemblages of hydrated minerals from the H2O–MgSO4–CO2 system on Jupiter’s Europa satellite. Geochimica et Cosmochimica Acta, 125. 466-475 doi:10.1016/j.gca.2013.10.033
	Arencibia, A., Taravillo, M., Pérez, F. J., Núñez, J., Baonza, V. G. (2002) Effect of Pressure on Hydrogen Bonding in Liquid Methanol. Physical Review Letters, 89 (19). doi:10.1103/physrevlett.89.195504
	Guimbretiere, G., Desgranges, L., Jegou, C., Canizares, A., Simon, P., Caraballo, R., Raimboux, N., Barthe, M.-F., Ammar, M.-R., Maslova, O. A., Duval, F., Omnee, R. (2014) Characterization of Nuclear Materials in Extreme Conditions: Raman Spectroscopy Approach. IEEE Transactions on Nuclear Science, 61 (4) 2045-2051 doi:10.1109/tns.2014.2311166
	Sobry, Roger (1973) Etude des “uranates” hydrates—II. Journal of Inorganic and Nuclear Chemistry, 35 (8) 2753-2768 doi:10.1016/0022-1902(73)80506-8
	Maya, L., Begun, G.M. (1981) A Raman spectroscopy study of hydroxo and carbonato species of the uranyl (VI) ion. Journal of Inorganic and Nuclear Chemistry, 43 (11) 2827-2832 doi:10.1016/0022-1902(81)80625-2
	Biwer, Bruce M., Ebert, William L., Bates, John K. (1990) The Raman spectra of several uranyl-containing minerals using a microprobe. Journal of Nuclear Materials, 175 (3). 188-193 doi:10.1016/0022-3115(90)90205-2
	Faulques, Eric, Russo, Richard E., Perry, Dale L. (1993) Raman spectral studies of uranyl sulphate and its urea complex structural isomers. Spectrochimica Acta Part A: Molecular Spectroscopy, 49 (7). 975-983 doi:10.1016/0584-8539(93)80216-w
	Faulques, Eric, Russo, Richard E., Perry, Dale L. (1994) Raman studies of uranyl nitrate and its hydroxy bridged dimer. Spectrochimica Acta Part A: Molecular Spectroscopy, 50 (4). 757-763 doi:10.1016/0584-8539(94)80013-8
	Faulkes (2015) Spectrosc. Eur. 27, 14
	Bastians, Simon, Crump, Gregory, Griffith, William P., Withnall, Robert (2004) Raspite and studtite: Raman spectra of two unique minerals. Journal of Raman Spectroscopy, 35 (89). 726-731 doi:10.1002/jrs.1176
	Not Yet Imported: RSC Adv. - journal-article : 10.1039/C4RA09361E If you would like this item imported into the Digital Library, please contact us quoting Journal ID 71941
	Frost, Ray L., Čejka, Jiří (2007) A Raman spectroscopic study of the uranyl carbonate rutherfordine. Journal of Raman Spectroscopy, 38 (11). 1488-1493 doi:10.1002/jrs.1796
	Frost, Ray L., Čejka, Jiří (2009) A Raman spectroscopic study of the uranyl mineral rutherfordine-revisited. Journal of Raman Spectroscopy, 40 (9). 1096-1103 doi:10.1002/jrs.2174
	Frost, Ray L., Čejka, Jiří, Weier, Matt L, Martens, Wayde (2006) Molecular structure of the uranyl silicates—a Raman spectroscopic study. Journal of Raman Spectroscopy, 37 (4). 538-551 doi:10.1002/jrs.1430
	Frost, Ray L., Čejka, Jiří, Weier, Matt L., Martens, Wayde (2006) A Raman and infrared spectroscopic study of the uranyl silicates—Weeksite, soddyite and haiweeite: Part 2. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 63 (2) 305-312 doi:10.1016/j.saa.2005.05.015
	Frost, Ray L., Čejka, Jiří, Weier, Matt L. (2007) Raman spectroscopic study of the uranyl oxyhydroxide hydrates: becquerelite, billietite, curite, schoepite and vandendriesscheite. Journal of Raman Spectroscopy, 38 (4). 460-466 doi:10.1002/jrs.1669
	Frost, Ray L., Dickfos, Marilla J., Čejka, Jiří (2008) Raman spectroscopic study of the uranyl carbonate mineral zellerite. Journal of Raman Spectroscopy, 39 (5). 582-586 doi:10.1002/jrs.1879
	He (2010) Phys. Chem. Chem. Phys. 12, 8109
	Desgranges, L., Baldinozzi, G., Simon, P., Guimbretière, G., Canizares, A. (2012) Raman spectrum of U4O9: a new interpretation of damage lines in UO2. Journal of Raman Spectroscopy, 43 (3). 455-458 doi:10.1002/jrs.3054
	Manara, Dario, Renker, Burkhard (2003) Raman spectra of stoichiometric and hyperstoichiometric uranium dioxide. Journal of Nuclear Materials, 321 (2). 233-237 doi:10.1016/s0022-3115(03)00248-4
	Clark (2005) Z. Kristallogr. 220, 567
	Milman, V., Refson, K., Clark, S.J., Pickard, C.J., Yates, J.R., Gao, S.-P., Hasnip, P.J., Probert, M.I.J., Perlov, A., Segall, M.D. (2010) Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation. Journal of Molecular Structure: THEOCHEM, 954. 22-35 doi:10.1016/j.theochem.2009.12.040
	Gonze (2005) Z. Kristallogr. 220, 558
	Giannozzi (2009) J. Phys.: Condens. Matter 21, 395502
	Pascale, F., Zicovich-Wilson, C. M., López Gejo, F., Civalleri, B., Orlando, R., Dovesi, R. (2004) The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. Journal of Computational Chemistry, 25 (6). 888-897 doi:10.1002/jcc.20019
	Artacho (2008) J. Phys.: Condens. Matter 20, 064208
	Refson, Keith, Tulip, Paul R., Clark, Stewart J. (2006) Variational density-functional perturbation theory for dielectrics and lattice dynamics. Physical Review B, 73 (15) doi:10.1103/physrevb.73.155114
	Hohenberg, P., Kohn, W. (1964) Inhomogeneous Electron Gas. Physical Review, 136 (3). doi:10.1103/physrev.136.b864
	Kohn, W., Sham, L. J. (1965) Self-Consistent Equations Including Exchange and Correlation Effects. Physical Review, 140 (4). doi:10.1103/physrev.140.a1133
	Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., Joannopoulos, J. D. (1992) Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients. Reviews of Modern Physics, 64 (4). 1045-1097 doi:10.1103/revmodphys.64.1045
	Baroni, Stefano, de Gironcoli, Stefano, Dal Corso, Andrea, Giannozzi, Paolo (2001) Phonons and related crystal properties from density-functional perturbation theory. Reviews of Modern Physics, 73 (2). 515-562 doi:10.1103/revmodphys.73.515
	Gonze, Xavier, Lee, Changyol (1997) Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory. Physical Review B, 55 (16) 10355-10368 doi:10.1103/physrevb.55.10355
	Crocombette, J. P., Jollet, F., Nga, L. Thien, Petit, T. (2001) Plane-wave pseudopotential study of point defects in uranium dioxide. Physical Review B, 64 (10) doi:10.1103/physrevb.64.104107
	Freyss, Michel, Petit, Thierry, Crocombette, Jean-Paul (2005) Point defects in uranium dioxide: Ab initio pseudopotential approach in the generalized gradient approximation. Journal of Nuclear Materials, 347 (1). 44-51 doi:10.1016/j.jnucmat.2005.07.003
	Beridze, George, Kowalski, Piotr M. (2014) Benchmarking the DFT+U Method for Thermochemical Calculations of Uranium Molecular Compounds and Solids. The Journal of Physical Chemistry A, 118 (50). 11797-11810 doi:10.1021/jp5101126
	Yun, Younsuk, Legut, Dominik, Oppeneer, Peter M. (2012) Phonon spectrum, thermal expansion and heat capacity of UO2 from first-principles. Journal of Nuclear Materials, 426 (1). 109-114 doi:10.1016/j.jnucmat.2012.03.017
	Yin, Quan, Savrasov, Sergey Y. (2008) Origin of Low Thermal Conductivity in Nuclear Fuels. Physical Review Letters, 100 (22). doi:10.1103/physrevlett.100.225504
	Wang, Bao-Tian, Zhang, Ping, Lizárraga, Raquel, Di Marco, Igor, Eriksson, Olle (2013) Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide. Physical Review B, 88 (10) doi:10.1103/physrevb.88.104107
	Mei, Zhi-Gang, Stan, Marius, Yang, Jiong (2014) First-principles study of thermophysical properties of uranium dioxide. Journal of Alloys and Compounds, 603. 282-286 doi:10.1016/j.jallcom.2014.03.091
	Mei, Zhi-Gang, Stan, Marius, Pichler, Benjamin (2013) First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of UN. Journal of Nuclear Materials, 440 (1). 63-69 doi:10.1016/j.jnucmat.2013.04.058
	Dudarev, S. L., Manh, D. Nguyen, Sutton, A. P. (1997) Effect of Mott-Hubbard correlations on the electronic structure and structural stability of uranium dioxide. Philosophical Magazine B, 75 (5). 613-628 doi:10.1080/13642819708202343
	Andersson, D. A., Baldinozzi, G., Desgranges, L., Conradson, D. R., Conradson, S. D. (2013) Density Functional Theory Calculations of UO2Oxidation: Evolution of UO2+x, U4O9–y, U3O7, and U3O8. Inorganic Chemistry, 52 (5) 2769-2778 doi:10.1021/ic400118p
	Nerikar, Pankaj, Watanabe, Taku, Tulenko, James S., Phillpot, Simon R., Sinnott, Susan B. (2009) Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations. Journal of Nuclear Materials, 384 (1). 61-69 doi:10.1016/j.jnucmat.2008.10.003
	Wen, Xiao-Dong, Martin, Richard L., Roy, Lindsay E., Scuseria, Gustavo E., Rudin, Sven P., Batista, Enrique R., McCleskey, Thomas M., Scott, Brian L., Bauer, Eve, Joyce, John J., Durakiewicz, Tomasz (2012) Effect of spin-orbit coupling on the actinide dioxides AnO2 (An=Th, Pa, U, Np, Pu, and Am): A screened hybrid density functional study. The Journal of Chemical Physics, 137 (15). 154707pp. doi:10.1063/1.4757615
	Wen (2013) J. Phys.: Condens. Matter 25, 025501
	Weck, Philippe F., Kim, Eunja, Balakrishnan, Naduvalath, Poineau, Frédéric, Yeamans, Charles B., Czerwinski, Kenneth R. (2007) First-principles study of single-crystal uranium mono- and dinitride. Chemical Physics Letters, 443. 82-86 doi:10.1016/j.cplett.2007.06.047
	Weck, Philippe F., Kim, Eunja, Jové-Colón, Carlos F., Sassani, David C. (2012) Structures of uranyl peroxide hydrates: a first-principles study of studtite and metastudtite. Dalton Transactions, 41 (32). 9748pp. doi:10.1039/c2dt31242e
	Not Yet Imported: Dalton Trans. - journal-article : 10.1039/C4DT02455A If you would like this item imported into the Digital Library, please contact us quoting Journal ID 17036
	Ostanin (2007) J. Phys.: Condens. Matter 19, 246108
	Ostanin, S., Zeller, P. (2007) Ab initiostudy of uranyl peroxides: Electronic factors behind the phase stability. Physical Review B, 75 (7) doi:10.1103/physrevb.75.073101
	Shuller, Lindsay C., Ewing, Rodney C., Becker, Udo (2013) Np-incorporation into uranyl phases: A quantum–mechanical evaluation. Journal of Nuclear Materials, 434 (1). 440-450 doi:10.1016/j.jnucmat.2011.04.016
	Shuller-Nickles, Lindsay, Bender, Will, Walker, Sarah, Becker, Udo (2014) Quantum-Mechanical Methods for Quantifying Incorporation of Contaminants in Proximal Minerals. Minerals, 4 (3) 690-715 doi:10.3390/min4030690
	Shuller, L. C., Ewing, R. C., Becker, U. (2010) Quantum-mechanical evaluation of Np-incorporation into studtite. American Mineralogist, 95 (8) 1151-1160 doi:10.2138/am.2010.3493
	Hay, P. Jeffrey, Martin, Richard L. (1998) Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree–Fock and density functional methods: UF6, NpF6, and PuF6. The Journal of Chemical Physics, 109 (10). 3875-3881 doi:10.1063/1.476988
	Hay, P. Jeffrey, Martin, Richard L., Schreckenbach, Georg (2000) Theoretical Studies of the Properties and Solution Chemistry of AnO22+and AnO2+Aquo Complexes for An = U, Np, and Pu. The Journal of Physical Chemistry A, 104 (26). 6259-6270 doi:10.1021/jp000519h
	Not Yet Imported: ChemPhysChem - journal-article : 10.1002/cphc.200901035 If you would like this item imported into the Digital Library, please contact us quoting Journal ID 12956
	Not Yet Imported: Accounts of Chemical Research - journal-article : 10.1021/ar800271r If you would like this item imported into the Digital Library, please contact us quoting Journal ID 470
	Shamov, Grigory A., Schreckenbach, Georg, Vo, Thach N. (2007) A Comparative Relativistic DFT and Ab Initio Study on the Structure and Thermodynamics of the Oxofluorides of Uranium(IV), (V) and (VI). Chemistry - A European Journal, 13 (17). 4932-4947 doi:10.1002/chem.200601244
	Odoh, Samuel O., Schreckenbach, Georg (2013) DFT Study of Uranyl Peroxo Complexes with H2O, F–, OH–, CO32-, and NO3–. Inorganic Chemistry, 52 (9) 5590-5602 doi:10.1021/ic400652b
	Iché-Tarrat, Nathalie, Marsden, Colin J. (2008) Examining the Performance of DFT Methods in Uranium Chemistry: Does Core Size Matter for a Pseudopotential?. The Journal of Physical Chemistry A, 112 (33). 7632-7642 doi:10.1021/jp801124u
	Majumdar, D., Balasubramanian, K., Nitsche, H. (2002) A comparative theoretical study of bonding in UO2++,UO2+,UO2,UO2−, OUCO, O2U(CO)2 and UO2CO3. Chemical Physics Letters, 361. 143-151 doi:10.1016/s0009-2614(02)00899-0
	Majumdar, D., Roszak, S., Balasubramanian, K., Nitsche, H. (2003) Theoretical study of aqueous uranyl carbonate (UO2CO3) and its hydrated complexes: UO2CO3·nH2O (n=1–3). Chemical Physics Letters, 372. 232-241 doi:10.1016/s0009-2614(03)00404-4
	Chaudhuri, Doyel, Balasubramanian, K. (2004) Electronic structure and spectra of plutonyl complexes and their hydrated forms: PuO2CO3 and PuO2CO3·nH2O (n=1,2). Chemical Physics Letters, 399. 67-72 doi:10.1016/j.cplett.2004.09.141
	Vochten (1998) Can. Mineral. 36, 1077
	Walenta (1998) Mineral. Petrogr. Mitt. 56, 167
	Clark, David L., Hobart, David E., Neu, Mary P. (1995) Actinide Carbonte Complexes and Their Importance in Actinide Environmental Chemistry. Chemical Reviews, 95 (1) 25-48 doi:10.1021/cr00033a002
	Finch, Robert J., Ewing, Rodney C. (1992) The corrosion of uraninite under oxidizing conditions. Journal of Nuclear Materials, 190. 133-156 doi:10.1016/0022-3115(92)90083-w
	I. Grenthe , J.Drożdżynński, T.Fujino, E. C.Buck, T. E.Albrecht-Schmitt and S. F.Wolf, The chemistry of the actinide and transactinide elements, Springer Netherlands, 2008, pp. 253–698
	Marckwald (1906) Zentralbl. Mineral., Geol. Palaeontol. , 761
	Frondel (1956) Am. Mineral. 41, 127
	Christ, C. L., Clark, J. R., Evans, H. T. (1955) Crystal Structure of Rutherfordine, UO2CO3. Science, 121 (3144) 472-473 doi:10.1126/science.121.3144.472
	Christ (1956) Am. Mineral. 41, 844
	Finch (1999) Can. Mineral. 37, 929
	Bonales, L.J., Menor-Salván, C., Cobos, J. (2015) Study of the alteration products of a natural uraninite by Raman spectroscopy. Journal of Nuclear Materials, 462. 296-303 doi:10.1016/j.jnucmat.2015.04.017
	MaterialsStudio, http://accelrys.com/products/materials-studio, 2014
	Perdew, John P., Burke, Kieron, Ernzerhof, Matthias (1996) Generalized Gradient Approximation Made Simple. Physical Review Letters, 77 (18). 3865-3868 doi:10.1103/physrevlett.77.3865
	Perdew, John P., Ruzsinszky, Adrienn, Csonka, Gábor I., Vydrov, Oleg A., Scuseria, Gustavo E., Constantin, Lucian A., Zhou, Xiaolan, Burke, Kieron (2008) Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. Physical Review Letters, 100 (13). doi:10.1103/physrevlett.100.136406
	Grimme, Stefan (2006) Semiempirical GGA-type density functional constructed with a long-range dispersion correction. Journal of Computational Chemistry, 27 (15). 1787-1799 doi:10.1002/jcc.20495
	Pfrommer, Bernd G., Côté, Michel, Louie, Steven G., Cohen, Marvin L. (1997) Relaxation of Crystals with the Quasi-Newton Method. Journal of Computational Physics, 131 (1) 233-240 doi:10.1006/jcph.1996.5612
	Monkhorst, Hendrik J., Pack, James D. (1976) Special points for Brillouin-zone integrations. Physical Review B, 13 (12) 5188-5192 doi:10.1103/physrevb.13.5188
	Troullier, N., Martins, José Luriaas (1991) Efficient pseudopotentials for plane-wave calculations. Physical Review B, 43 (3) 1993-2006 doi:10.1103/physrevb.43.1993
	Fuchs, Martin, Scheffler, Matthias (1999) Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory. Computer Physics Communications, 119. 67-98 doi:10.1016/s0010-4655(98)00201-x
	Kleinman, Leonard, Bylander, D. M. (1982) Efficacious Form for Model Pseudopotentials. Physical Review Letters, 48 (20). 1425-1428 doi:10.1103/physrevlett.48.1425
	P. Haynes and K.Refson, cpi2recpot: Converts from .cpi format generated by fhi98PP to the recpot format used by CASTEP and ONETEP, 2007
	Downs (1993) Am. Mineral. 78, 1104
	ICDD, The international center for diffraction data, PDF-2 database, 2003
	Cejka (1988) Casopis Narodniho Muzeo 157, 1
	Cejka (1999) Rev. Mineral. Geochem. 38, 521
	Hoekstra, H.R., Siegel, S. (1973) The uranium trioxide-water system. Journal of Inorganic and Nuclear Chemistry, 35 (3) 761-779 doi:10.1016/0022-1902(73)80444-0
	Catalano, Jeffrey G., Brown, Gordon E. (2004) Analysis of uranyl-bearing phases by EXAFS spectroscopy: Interferences, multiple scattering, accuracy of structural parameters, and spectral differences. American Mineralogist, 89 (7) 1004-1021 doi:10.2138/am-2004-0711

Mineral Pages

See Also

These are possibly similar items as determined by title/reference text matching only.

	Colmenero, F., Bonales, L. J., Cobos, J., Timón, V. (2017) Structural, mechanical and vibrational study of uranyl silicate mineral soddyite by DFT calculations. Journal of Solid State Chemistry: 253: 249-257.
	Colmenero, Francisco, Bonales, Laura. J., Cobos, Joaquín, Timón, Vicente (2017) Thermodynamic and Mechanical Properties of the Rutherfordine Mineral Based on Density Functional Theory. The Journal of Physical Chemistry C, 121 (11). 5994-6001 doi:10.1021/acs.jpcc.7b00699
	Elorrieta, J. M., Bonales, L. J., Rodríguez-Villagra, N., Baonza, V. G., Cobos, J. (2016) A detailed Raman and X-ray study of UO2+x oxides and related structure transitions. Physical Chemistry Chemical Physics, 18 (40). 28209-28216 doi:10.1039/c6cp03800j
	Colmenero, Francisco, Bonales, Laura J., Cobos, Joaquín, Timón, Vicente (2017) Study of the thermal stability of studtite by in situ Raman spectroscopy and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 174. 245-253 doi:10.1016/j.saa.2016.11.040
	Colmenero, Francisco, Bonales, Laura J., Cobos, Joaquín, Timón, Vicente (2017) Structural, mechanical and vibrational study of uranyl silicate mineral soddyite by DFT calculations. Journal of Solid State Chemistry, 253. 249-257 doi:10.1016/j.jssc.2017.06.002
	Colmenero, Francisco, Timón, Vicente, Bonales, Laura J., Cobos, Joaquín (2018) Structural, mechanical and Raman spectroscopic characterization of the layered uranyl silicate mineral, uranophane-α, by density functional theory methods. Clay Minerals, 53 (3) 377-392 doi:10.1180/clm.2018.27
	Colmenero, Francisco, Bonales, Laura. J., Cobos, Joaquín, Timón, Vicente (2017) Density Functional Theory Study of the Thermodynamic and Raman Vibrational Properties of γ-UO3 Polymorph. The Journal of Physical Chemistry C, 121 (27). 14507-14516 doi:10.1021/acs.jpcc.7b04389
	Colmenero, F., Plášil, J., Cobos, J., Sejkora, J., Timón, V., Čejka, J., Bonales, L.J. (2019): Crystal structure, hydrogen bonding, mechanical properties and Raman spectrum of the lead uranyl silicate monohydrate mineral kasolite. RSC Advances: 9: 15323; http://forum.amiminerals.it/viewtopic.php?f=5&t=16440
	Colmenero, F., Plášil, J., Cobos, J., Sejkora, J., Timón, V., Čejka, J., Fernández, A.M., Petříček, V. (2019): Structural, mechanical, spectroscopic and thermodynamic characterization of the copper-uranyl tetrahydroxide mineral vandenbrandeite. RSC Advances: 9: 40708
	Colmenero, F., Fernández, A.M., Timón, V., Cobos, J. (2018): Becquerelite mineral phase: crystal structure and thermodynamic and mechanical stability by using periodic DFT. RSC Advances: 8: 24599
	Colmenero, Francisco, Plášil, Jakub, Cobos, Joaquín, Sejkora, Jiří, Timón, Vicente, Čejka, Jiří, Bonales, Laura J. (2019) Crystal structure, hydrogen bonding, mechanical properties and Raman spectrum of the lead uranyl silicate monohydrate mineral kasolite. RSC Advances, 9 (27). 15323-15334 doi:10.1039/c9ra02931a