Embedded Files
Peer-reviewed publications, many of them can be downloaded from my ResearchGate
[80] Tuan V. Vu, Nguyen N. Hieu, Dat D. Vo, A.I. Kartamyshev, Hien D. Tong, Thuat T. Trinh, Vo Khuong Dien, Zakaryae Haman, Poulumi Dey and Nabil Khossossi. 2D Ge2Se2P4 Monolayer: A Versatile Photocatalyst for Sustainable Water Splitting. Journal of Physical Chemistry C, vol. 128(10), pp. 4245 – 4257, 2024. DOI: 10.1021/acs.jpcc.3c07237
[79] Tuan V. Vu, A.I. Kartamyshev, Minh D. Nguyen, Khang D. Pham, Thuat T. Trinh, Nguyen P. Nhuan and Nguyen D. Hien. First-principles insights on electronic and transport properties of novel ternary AlMX3 and quaternary Janus Al2M2X3Y3 (M= Ge, Sn; X/Y= S, Se, Te) monolayers. Materials Science in Semiconductor Processing, vol. 181, 2024. DOI: 10.1016/j.mssp.2024.108590
[78] Do Tuong Ha, Hien Duy Tong and Thuat T. Trinh. Insights into hydro thermal gasification process of microplastic polyethylene via reactive molecular dynamics simulations. Scientific Reports, vol. 14(1), 2024. DOI: 10.1038/s41598-024-69337-z
[77] Thuat T. Trinh, Morten Hammer, Vishist Sharma and Øivind Wilhelmsen. Mie–FH: A quantum corrected pair potential in the LAMMPS simulation package for hydrogen mixtures. SoftwareX, vol. 26, 2024. DOI: 10.1016/j.softx.2024.101716
[76] Do Tuong Ha, Khanh-Quang Tran and Thuat T. Trinh. Modeling Hydrothermal Gasification of Digestate Sludge: Reaction Kinetic from Molecular Simulations. Computer Aided Chemical Engineering, vol. 53, pp. 961 – 969, 2024. DOI: 10.1016/B978-0-443-28824-1.50161-7
[75] Do Tuong Ha, Hien Duy Tong, Khanh-Quang Tran and Thuat T. Trinh. Molecular Simulation of Hydrothermal Gasification of Digestate Sludge with Copper Catalyst Addition. Chemical Engineering Transactions, vol. 109, pp. 193 – 198, 2024. DOI: 10.3303/CET24109033
[74] Thi H. Ho, Hien Duy Tong and Thuat T. Trinh. Molecular insights into the interactions between PEG carriers and drug molecules from Celastrus hindsii: a multi-scale simulation study. Scientific Reports, vol. 14(1), 2024. DOI: 10.1038/s41598-024-67720-4
[73] Do Tuong Ha, Khanh-Quang Tran and Thuat T. Trinh. New insights into the hydrothermal carbonization process of sewage sludge: A reactive molecular dynamics study. Fuel, vol. 361, 2024. DOI: 10.1016/j.fuel.2023.130692
[72] Thuat T. Trinh and Khanh-Quang Tran. On application of molecular dynamics simulation for studying the effect of temperature and heating rate on HTL of biomass. IOP Conference Series: Earth and Environmental Science, vol. 1372(1), 2024. DOI: 10.1088/1755-1315/1372/1/012051
[71] Khanh-Quang Tran, Hau-Huu Bui, Wei-Hsin Chen, Salman Raza Naqvi, Thuat T. Trinh and Jo-Shu Chang. Pyrolysis Kinetics of Microalgae Residues—A Comparative Study on DAEM Using Different Distribution Functions. Springer Proceedings in Earth and Environmental Sciences, vol. Part F2363, pp. 75 – 91, 2024. DOI: 10.1007/978-981-97-0056-1\\\\\\\\\\\_7
[70] Thi H. Ho, Do Tuong Ha, Nguyen-Hieu Hoang, Øivind Wilhelmsen and Thuat T. Trinh. Structural, mechanical, electronic and thermodynamic analysis of calcium aluminum silicate crystalline phases in stone wool insulation materials: A first-principles study. Materials Today Communications, vol. 38, 2024. DOI: 10.1016/j.mtcomm.2023.107845
[69] Vegard G. Jervell, Magnus Aa. Gjennestad, Thuat T. Trinh and Øivind Wilhelmsen. The influence of thermal diffusion on water migration through a porous insulation material. International Journal of Heat and Mass Transfer, vol. 227, 2024. DOI: 10.1016/j.ijheatmasstransfer.2024.125576
[68] Do Tuong Ha, Hien Duy Tong, Khanh-Quang Tran and Thuat T. Trinh. The role of chemical functional groups in dewaterability of hydrochar: A molecular simulation study. Journal of Molecular Liquids, vol. 400, 2024. DOI: 10.1016/j.molliq.2024.124482
[67] Thi H. Ho, Tong Duy Hien, Øivind Wilhelmsen and Thuat T. Trinh. Thermophysical properties of polyethylene glycol oligomers via molecular dynamics simulations. RSC Advances, vol. 14(38), pp. 28125 – 28137, 2024. DOI: 10.1039/d4ra04898a
[66] Thi H. Ho, Nguyen-Hieu Hoang, Øivind Wilhelmsen and Thuat T. Trinh. Water adsorption on surfaces of calcium aluminosilicate crystal phase of stone wool: a DFT study. Scientific Reports, vol. 14(1), 2024. DOI: 10.1038/s41598-024-59754-5
[65] Nguyen-Hieu Hoang, Do Tuong Ha and Thuat T. Trinh. A first-principles insight into thermodynamic and mechanical properties of Xonotlite and Wollastonite phases of high temperature geothermal well cement. Results in Materials, vol. 20, 2023. DOI: 10.1016/j.rinma.2023.100454
[64] Tuong Ha Do, Hien Duy Tong, Khanh-Quang Tran, Evert Jan Meijer and Thuat T. Trinh. Insight into the role of excess hydroxide ions in silicate condensation reactions. Physical Chemistry Chemical Physics, vol. 25(18), pp. 12723 – 12733, 2023. DOI: 10.1039/d3cp00475a
[63] Khanh-Quang Tran, Do Tuong Ha and Thuat T. Trinh. ON THE EFFECT OF CHEMICAL FUNCTIONAL GROUP ON DEWATERING ABILITY OF HYDROCHAR BY MOLECULAR DYNAMICS SIMULATIONS. European Biomass Conference and Exhibition Proceedings, , pp. 1004 – 1006, 2023
[62] Thi H. Ho, Tuong Ha Do, Hien Duy Tong, Evert Jan Meijer and Thuat T. Trinh. The Role of Chloride ion in the Silicate Condensation Reaction from ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry B, vol. 127(36), pp. 7748 – 7757, 2023. DOI: 10.1021/acs.jpcb.3c04256
[61] Olav Galteland, Michael T. Rauter, Mina S. Bratvold, Thuat T. Trinh, Dick Bedeaux and Signe Kjelstrup. Local Thermodynamic Description of Isothermal Single-Phase Flow in Simple Porous Media. Transport in Porous Media, vol. 145(1), pp. 153 – 173, 2022. DOI: 10.1007/s11242-022-01844-x
60. My V. Nguyen , Hieu C. Dong, Duc Nguyen-Manh, Nam H. Vu, Thuat T. Trinh and Thang B. Phan, Effect of Hydrogen-Bonding Networks of Water on Temperature and Relative Humidity Dependence of Proton Conductivity in Metal-Organic Frameworks, Journal of Science: Advanced Materials and Devices, 2021, accepted
59. Thi Tan Pham,†ab Thanh Ngoc Pham,†ab Viorel Chihaia,c Quang Anh Vu, Thuat T. Trinh, Trung Thanh Pham, Le Van Thang and Do Ngoc Son, How do the doping concentrations of N and B in graphene modify the water adsorption? RSC Advances, 2021, accepted
58. Ngoc Lan Mai, Nguyen-Hieu Hoang, Ha T. Do, Monika Pilz, Thuat T. Trinh, Elastic and thermodynamic properties of the major clinker phases of Portland cement: Insights from first principles calculations, Construction and Building Materials, 2021, Volume 287, 14 June 2021, 122873
57. Nam H. Vu, Hieu C. Dong, My V. Nguyen, Thang Bach Phan, Dzung Hoang, Thuat T. Trinh, Mechanism of proton transport in water clusters and the effect of electric fields: a DFT study, Current Applied Physics, 2021, accepted.
56. NL Mai, N Ambauen, C Hallé, T Meyn, TT Trinh, Initial degradation mechanism of salicylic acid via electrochemical process, Chemical Physics, 2020, 111071, Open Access
55. Marine Ciantar ; Thuat T. Trinh ; Carine Michel; Philippe Sautet ; Caroline Mellot-Draznieks ; Carlos Nieto-Draghi, Impact of organic templates on the selective formation of zeolite oligomers, Angewandte Chemie International Edition, 2020, accepted, https://doi.org/10.1002/anie.202014027
54. Saez Talens, Victorio; DAVIS, JOYAL; Wu, Chia-Hua; Wen, Zhili ; Lauria, Francesca ; Gupta, Karthick Babu Sai Sankar ; Rudge, Raisa; Boraghi, Mahsa; Hagemeijer, Alexander; Trinh, Thuat; Englebienne, Pablo; Voets, Ilja; Wu, Judy; Kieltyka, Roxanne, Thiosquaramide-based Supramolecular Polymers: Aromaticity Gain in a Switched Mode of Self-Assembly, Journal of the American Chemical Society, 2020, accepted
53. LAn Ngoc Mai, Ha T Do, Nguyen Hieu Hoang, Anh H. Nguyen, Khanh-Quang Tran, Evert Jan Meijer, Thuat T. Trinh, Elucidating the Role of Tetraethylammonium in the Silicate Condensation Reaction from Ab-initio Molecular Dynamics Simulations, The Journal of Physical Chemistry B , 2020, accepted
52. Noëmi Ambauen, Jens Muff, Franz Tscheikner-Gratla, Thuat T. Trinh, Cynthia Hallé, ThomasMeyn, Application of electrochemical oxidation in cold climate regions – Effect of temperature, pH and anode material on the degradation of Bisphenol A and the formation of disinfection by-products, Journal of Environmental Chemical Engineering, 2020, accepted.
51. Khanh-Quang Tran, Sebastian Werle, Thuat T. Trinh, Aneta Magdziarz, Szymon Sobek, Marta Pogrzeba, Fuel characterization and thermal degradation kinetics of 1
biomass from phytoremediation plants, Biomass and Bioenergy, 2020, accepted.
50. ThanhT.Vu, SojinSong, HienD.N.Lai, LanN.Mai, Thuat T. Trinh, Ha T. Do, Dai Phu- Huynh, Anh H. Nguyen, Coverage degrees of colloids on electrochemical electrodes and signal amplification for anti-citrullinated peptide antibody detection, Sensing and Bio-Sensing Research, Available online 7 January 2020, 100322
49. Noemi Ambauen, Jens Muff, Ngoc Lan Mai, Cynthia Halle, Thuat Trinh, and Thomas Meyn, Insights into the Kinetics of Intermediate Formation during Electrochemical Oxidation of the Organic Model Pollutant Salicylic Acid in Chloride Electrolyte, Water, 2019, accepted.
48. Magnus Waage, Thuat Trinh, and Titus van Erp, Diffusion of gas mixtures in the sI hydrate structure, Journal of Chemical Physics, 2018, accepted
47. Øivind Wilhelmsen, Thuat T. Trinh, and Anders Lervik, Temperature anisotropy at equilibrium reveals nonlocal entropic contributions to interfacial properties, Phys. Rev. E, 2018, accepted
46. Helene Kjær Risinggård, Simon Cooil, Federico Mazzola, Di Hu, Marit Kjærvik, Elise Ramleth Østlid, Nilesh Patil, Alexei Preobrajenskie, D. Andrew Evans, Dag W. Breiby, Thuat T. Trinh , Justin W. Wells, Degradation of the chemotherapy drug 5-fluorouracil on medical-grade silver surfaces, Applied Surface Science, 2017, accepted
45. Le-Phuc, N., van Tran, T., Thuy, P.N., Nguyen, L.H., Trinh, T.T., Correlation between the porosity of γ-Al2O3and the performance of CuO–ZnO–Al2O3catalysts for CO2hydrogenation into methanol, Reaction Kinetics, Mechanisms and Catalysis, 2017, in press
44. Hernández, J.D., Tran, K.-Q., Trinh, T.T., Selective dissolution of woody biomass under hydrothermal conditions, 2017, Energy Procedia, 142, pp. 867-872
43. Tran, K.-Q., Håkansson, L., Trinh, T.T. CFD pre-study of Nozzle reactor for fast hydrothermal liquefaction, 2017, Energy Procedia, 142, pp. 861-866
42. Mehdi Mahmoodinia, Thuat T Trinh, Per-Olof Åstrand and Khanh-Quang Tran, Geometrical Flexibility of Platinum Nanoclusters: Impact on Catalytic Decomposition of Ethylene Glycol, Phys. Chem. Chem. Phys, 2017, accepted
41. Mahmoud Moqadam, Enrico Riccardi, Thuat T. Trinh, Anders Lervik, and Titus van Erp, Rare event simulations reveal subtle key steps in aqueous silicate condensation, Phys. Chem. Chem. Phys, 2017, accepted
40. Thuat T. Trinh, Nora Melding, Dick Bedeaux and Signe Kjelstrup, Thermodynamic Properties of Hydrogen Dissociation Reaction from the Small System Method and Reactive Force Field ReaxFF, Chem. Phys. Lett. 2017, 672,128
39. Eirik Hjertenæs, Thuat T. Trinh, and Henrik Koch, Chemically accurate energy barriers of small gas molecules in through hexagonal water rings, Phys. Chem. Chem. Phys, 2016, 18, 17831
38. Thuat T. Trinh, Xavier Rozanska, Françoise Delbecq, Alain Tuel and Philippe Sautet, The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics study Phys. Chem. Chem. Phys, 2016, 18, 14419
37. R. Rurali, L. Colombo, X. Cartoixà, Ø. Wilhelmsen, T. T. Trinh, D. Bedeaux, and S. Kjelstrup, Heat transportthrough a solid-solid junction: the interface as an autonomous thermodynamicsystem”, Phys. Chem. Chem. Phys, 2016, 18, 13741
36. Øivind Wilhelmsen, Thuat T. Trinh, Anders Lervik, Vijay Kumar Badam, Signe Kjelstrup, and Dick Bedeaux, Coherent description of transport across the water interface: From nanodroplets to climate models, Phys. Rev. E, 2016, 93, 32801
35. Anders Lervik, Øivind Wilhelmsen, Thuat Trinh, and Edgar Blokhuis, "A new truncation correction for the configurational temperature extends its applicability to interaction potentials with a discontinuous force", J. Chem. Phys, 2016, accepted
34. Thuat T. Trinh, Khanh-Quang Tran, Quang-Vu Bach, Dao Q. Trinh, "A Molecular Dynamics Simulation Study on SeparationSelectivity of CO2/CH4 Mixture in Mesoporous Carbons", Energy Procedia, 2016, 86, 144
33. Mahmoud Moqadam, Enrico Riccardi, Thuat Trinh, Per-Olof Astrand, and Titus van Erp, "A test on reactive forcefields for the study of silica dimerization reactions", J. Chem. Phys, 2015, 143, 184113 (2015)
32. Jianyang Wu, Fulong Ning, Thuat Trinh, Signe Kjelstrup, Thijs J. H. Vlugt, Jianying He, Bjørn H. Skallerud, and Zhiliang Zhang, "Mechanical Instability of Monocrystalline and Polycrystalline Methane Hydrates", Nature Communications, 2015, 6, 8743, doi:10.1038/ncomms9743
31. Mehandzhiyski, Aleksandar; Riccardi, Enrico; van Erp, Titus; Koch, Henrik; Åstrand, Per-Olof; Trinh, Thuat; Grimes, Brian, "DFT Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids", J. Phys. Chem. A, 2015, 119 (40), 10195-10203
30. Anders Lervik, Øivind Wilhelmsen, Thuat Trinh, and Henrik R. Nagel, "Finite-size and truncation effects for microscopic expressions for the temperature at equilibrium and nonequilibrium", J. Chem. Phys. 143, 114106 (2015)
29. Mehandzhiyski, Aleksandar; Riccardi, Enrico; van Erp, Titus; Trinh, Thuat; Grimes, Brian, "Ab-initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water", J. Phys. Chem. B, 2015, 119 (33), pp 10710–10719
28. Thuat T Trinh, Khanh-Quang Tran, Xue-Qing Zhang, Rutger A van Santen and Evert Jan Meijer , The role of a structure directing agent tetramethylamonium template in the initial step of silicate oligomerization in aqueous solution, Phys. Chem. Chem. Phys., 2015,17, 21810-21818
27. Victorio Saez Talens, Pablo Englebienne, Thuat T. Trinh, Willem E. M. Noteborn, Ilja K. Voets, Roxanne E. Kieltyka, Aromatic gain in a supramolecular polymer, Angewandte Chemie, 2015,
http://onlinelibrary.wiley.com/doi/10.1002/anie.201503905/full
26. Bach, Quang Vu; Tran, Khanh-Quang; Skreiberg, Øyvind; Trinh, Thuat.(2015) Effects of Wet Torrefaction on Pyrolysis of Woody Biomass Fuels. Energy.
25. Thuat T. Trinh, Magnus H. Waage, Titus S. van Erp, and Signe Kjelstrup, Communication "Low barriers for hydrogen diffusion in sII clathrate", Phys. Chem. Chem. Phys., 2015,17, 13808-13812 DOI: 10.1039/C5CP01713K
24. Mazzola, Federico; Trinh, Thuat; Cooil, Simon; Østli, Elise; Hoydalsvik, Kristin; Skjønsfjell Bakken, Eirik; Kjelstrup, Signe; Preobrajenski, Alexei; Cafolla, Tony; Evans, Andrew; Breiby, Dag; Wells, Justin, "Graphene coatings for chemotherapy; Avoiding silver-mediated degradation", IOP:2D Material, invited, doi:10.1088/2053-1583/2/2/025004
23. Wilhelmsen, Øivind; Trinh, Thuat; Kjelstrup, Signe; Bedeaux, Dick. "The Influence of Curvature on the Transfer Coefficients for Evaporation and Condensation of the Lennard-Jones Fluid from Square-Gradient Theory and Nonequilibrium Molecular Dynamics." Journal of Physical Chemistry C 2015, Accepted DOI: 10.1021/acs.jpcc.5b00615
22. Thuat T Trinh, Signe Kjelstrup, Dick Bedeaux, Titus van Erp and Carlos Grande "A PROCEDURE TO FIND THERMODYNAMIC EQUILIBRIUM CONSTANTS FOR CO2 AND CH4 ADSORPTION ON ACTIVATED CARBON" Phys. Chem. Chem. Phys., 2015, Accepted Manuscript DOI: 10.1039/C5CP00388A
21. Trinh, Thuat; Vlugt, Thijs J.H.; Hagg, May-Britt; Bedeaux, Dick; Kjelstrup, Signe "Simulation of Pore Width and Pore Charge Effects on Selectivities of CO2 vs. H2 from a Syngas-like Mixture in Carbon Mesopores", Energy Procedia 2015 ;Volume 64. p. 150-159
20. Øivind Wilhelmsen, Thuat Trinh, Signe Kjelstrup, Dick Beadeaux, Titus v. Erp. “Heat and mass transfer across interfaces in complex nanogeometries”, Physical Review Letters, 2015, 114, 065901.
19. TT Trinh, D Bedeaux, J-M Simon, S Kjelstrup, Calculation of the chemical potential and the activity coefficient of two layers of CO 2 adsorbed on a graphite surface, Physical Chemistry Chemical Physics, 2015,17, 1226-1233
18. Trinh, Thuat; Vlugt, Thijs J.H.; Kjelstrup, Signe. Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: a systematic study of several common force fields. Journal of Chemical Physics 2014, 141, 134504
17. Tran, Khanh-Quang; Bach, Quang Vu; Trinh, Thuat; Seisenbaeva, Gulaim. (2014) Non-isothermal pyrolysis of torrefied stump - A comparative kinetic evaluation. Applied Energy.
16. Kjelstrup S, Schnell SK, Vlugt TJ, Simon J-M, Bardow A, Bedeaux D, Trinh TT. Bridging scaleswith thermodynamics: from nano to macro. Advances in Natural Sciences: Nanoscience and Nanotechnology. 2014;5(2):023002.
15. van Erp TS, Trinh TT, Kjelstrup S, Glavatskiy K. On the relation between the Langmuir and thermodynamic flux equations. Frontier in Physics. 2014;1:36.
14. Trinh T, Bedeaux D, Simon J-M, Kjelstrup S. Thermodynamic Characterization Of Two Layers Of Co< sub>2</sub> On A Graphite Surface. Chemical Physics Letters. 2014.
13. Pavlova A, Trinh TT, van Santen RA, Meijer EJ. Clarifying the role of sodium in the silica oligomerizationreaction. Physical Chemistry Chemical Physics. 2013;15(4):1123-9.
12. Trinh T, Vlugt T, Hägg M, Bedeaux D, Kjelstrup S, editors. SIMULATING CO2 ADSORPTION AND DIFFUSION ON A GRAPHITE SURFACE. 12th Joint European Thermodynamics Conference; 2013.
11. Trinh TT, Vlugt TJ, Hägg M-B, Bedeaux D, Kjelstrup S. Selectivity and self-diffusion of CO2 and H2 in a mixtureon a graphite surface. Frontiers in chemistry. 2013;1.
10. Trinh TT, Rozanska X, Delbecq F, Sautet P. The initial step of silicate versus aluminosilicate formation inzeolite synthesis: a reaction mechanism in water with a tetrapropylammonium template. Physical Chemistry Chemical Physics. 2012;14(10):3369-80.
9. Zhang X-Q, Trinh TT, van Santen RA, Jansen AP. Mechanism of the initial stage of silicate oligomerization. Journal of the American Chemical Society. 2011;133(17):6613-25.
8. Zhang X-Q, Trinh TT, van Santen RA, Jansen AP. Structure-directing role of counterions in the initial stage ofzeolite synthesis. The Journal of Physical Chemistry C. 2011;115(19):9561-7.
7. Szyja B, Vassilev P, Trinh T, van Santen R, Hensen E. The relative stability of zeolite precursortetraalkylammonium–silicate oligomer complexes. Microporous and Mesoporous Materials. 2011;146(1):82-7.
6. Zhang X-Q, Trinh TT, van Santen RA, Jansen AP. Reply to “Comment on'Structure-Directing Role of Counterions in the Initial Stage of Zeolite Synthesis”. The Journal of Physical Chemistry C. 2011;116(1):1622-3.
5. Trinh TT, Jansen AP, van Santen RA, Meijer EJ. Role of water in silica oligomerization. The Journal of Physical Chemistry C. 2009;113(7):2647-52.
4. Trinh TT, Jansen AP, van Santen RA, Meijer EJ. The role of water in silicate oligomerization reaction. Physical Chemistry Chemical Physics. 2009;11(25):5092-9.
3. Trinh TT, Jansen AP, van Santen RA, VandeVondele J, Meijer EJ. Effect of counter ions on the silica oligomerizationreaction. ChemPhysChem. 2009;10(11):1775-82.
2. Thuat T. Trinh. A computational study ofsilicate oligomerization reactions: Eindhoven University of Technology; 2009.
1. Trinh TT, Jansen AP, van Santen RA. Mechanism of oligomerization reactions of silica. The Journal of Physical Chemistry B. 2006;110(46):23099-106.
Popular science (not updated anymore)
Advance in Engineering - Applied Physics on the work of Small system and ReaxFF
understanding-tiny-droplets-can-make-for-better-weather-forecasts
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http://scienmag.com/understanding-tiny-droplets-can-make-for-better-weather-forecasts/
http://www.alphagalileo.org/ViewItem.aspx?ItemId=163859&CultureCode=en
http://gemini.no/2016/05/forskning-pa-vanndraper-kan-gi-bedre-vaermeldinger/ (Norwegian)
http://forskning.no/klima-vaer-og-vind/2016/05/drapeforskning-kan-gi-bedre-vaermelding(Norwegian)
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IOP Publishing. "Improving the delivery of chemotherapy with graphene." ScienceDaily. ScienceDaily, 2 June 2015. <www.sciencedaily.com/releases/2015/06/150602130009.htm>.
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