PREDICTION OF STABLE IRON NITRIDES AT AMBIENT AND HIGH PRESSURES WITH PROGRESSIVE FORMATION OF NEW POLYNITROGEN SPECIES Статья Wu L., Tian R., Wan B., Gong N., Chen P., Shen T., Gou H., Liu H., Yao Y., Gao F. Chemistry of Materials. American Chemical Society. Том 30. 2018. С. 8476-8485
MODULATED STRUCTURE CALCULATED FOR SUPERCONDUCTING HYDROGEN SULFIDE Статья Majumdar A., Tse J.S., Yao Y. Angewandte Chemie - International Edition. Том 56. 2017. С. 11390-11393
NOVEL BORON CHANNEL-BASED STRUCTURE OF BORON CARBIDE AT HIGH PRESSURES Статья Zhang X., Cheng T., Chen H., Zhao Y., Zhang M., Liu H., Yao Y. Journal of Physics Condensed Matter. Том 29. 2017. 455401 с.
NEW MULTIFUNCTIONAL TUNGSTEN NITRIDE WITH ENERGETIC N<SUB>6</SUB> AND EXTREME HARDNESS PREDICTED FROM FIRST PRINCIPLES Статья Li Q., Sha L., Zhu C., Yao Y. EPL. Institute of Physics and IOP Publishing Limited. Том 118. 2017. 46001 с.
SUPERCONDUCTIVITY IN FEH5 Статья Majumdar A., Tse J.S., Wu M., Yao Y. Physical Review B. Том 96. 2017. 201107 с.
SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE Статья Adeleke A.A., Greschner M.J., Majumdar A., Yao Y., Wan B., Gou H., Liu H., Li Z. Physical Review B. Том 96. 2017. 224104 с.
PIEZOCHROMISM AND STRUCTURAL AND ELECTRONIC PROPERTIES OF BENZ[A] ANTHRACENE UNDER PRESSURE Статья Cai W., Zhang R., Deemyad S., Yao Y. Physical Chemistry Chemical Physics. Том 19. 2017. С. 6216-6223
STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES Статья Wang Y., Wu L., Zhang Y., Zhang J., Lin Y., Hu Q., Gou H., Mao H.K., Li Z., Gao F., Liu H., Yao Y. Physical Review B - Condensed Matter and Materials Physics. Том 92. 2015. 174106 с.
EXOTIC STABLE CESIUM POLYNITRIDES AT HIGH PRESSURE Статья Peng F., Han Y., Liu H., Yao Y. Scientific Reports. Nature Publishing Group. Том 5. 2015. 16902 с.
HYDROGEN SEGREGATION AND ITS ROLES IN STRUCTURAL STABILITY AND METALLIZATION: SILANE UNDER PRESSURE Статья Cui W., Shi J., Wang H., Ma Y., Liu H., Yao Y., Iitaka T. Scientific Reports. Nature Publishing Group. Том 5. 2015. 13039 с.
THEORETICAL PREDICTIONS OF NOVEL SUPERCONDUCTING PHASES OF BAGE<SUB>3</SUB> STABLE AT ATMOSPHERIC AND HIGH PRESSURES Статья Zurek E., Yao Y. Inorganic Chemistry. Том 54. 2015. С. 2875-2884
CRYSTALLINE LIN<SUB>5</SUB> PREDICTED FROM FIRST-PRINCIPLES AS A POSSIBLE HIGH-ENERGY MATERIAL Статья Peng F., Yao Y., Liu H., Ma Y. Journal of Physical Chemistry Letters. American Chemical Society. Том 6. 2015. С. 2363-2366
AMBIENT-PRESSURE POLYMERIZATION OF CARBON ANIONS IN THE HIGH-PRESSURE PHASE MG<SUB>2</SUB>C Статья Stefanoski S., Strobel T.A., Liu H., Yao Y. Inorganic Chemistry. Том 54. 2015. С. 10761-10765
STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE Статья Liu H., Yao Y., Klug D.D. Physical Review B - Condensed Matter and Materials Physics. Том 91. 2015. 014102 с.
HIDDEN THERMODYNAMIC GROUND STATE OF CALCIUM DIAZENIDE Статья Wang H., Si Y., Wu Z., Yao Y., Vaitheeswaran G. Журнал физической химии С. Том 118. 2014. С. 650-656
METALLIZATION AND SUPERCONDUCTIVITY OF BEH<SUB>2</SUB> UNDER HIGH PRESSURE Статья Wang Z., Zhu L., Wang H., Ma Y., Yao Y., Liu H., Iitaka T. The Journal of Chemical Physics. Том 140. 2014. 124707 с.
DIHYDROGEN BONDING IN COMPRESSED AMMONIA BORANE AND ITS ROLES IN STRUCTURAL STABILITY Статья Yao Y., Yong X., Tse J.S., Greschner M.J. Журнал физической химии С. Том 118. 2014. С. 29591-29598
STRUCTURES OF INSULATING PHASES OF DENSE LITHIUM Статья Yao Y., Klug D.D., Tse J.S. Physical Review Letters. Том 102. 2009. 115503 с.
EFFECT OF PRESSURE ON THE IRON ARSENIDE SUPERCONDUCTOR LI<SUB>X</SUB> FEAS (X=0.8,1.0,1.1) Статья Zhang S.J., Wang X.C., Yang L.X., Li Z., Liu Q.Q., Jin C.Q., Sammynaiken R., Tse J.S., Desgreniers S., Yao Y., Liu H.Z. Physical Review B - Condensed Matter and Materials Physics. Том 80. 2009. 014506 с.
CRYSTAL AND ELECTRONIC STRUCTURE OF SUPERHARD BC5: FIRST-PRINCIPLES STRUCTURAL OPTIMIZATIONS Статья Yao Y., Klug D.D., Tse J.S. Physical Review B - Condensed Matter and Materials Physics. Том 80. 2009. 094106 с.
CORE EFFECTS ON THE ENERGETICS OF SOLID LI AT HIGH PRESSURE Статья Yao Y., Tse J.S., Song Z., Klug D.D. Physical Review B - Condensed Matter and Materials Physics. Том 79. 2009. 092103 с.
SUPERCONDUCTIVITY IN LITHIUM UNDER HIGH PRESSURE INVESTIGATED WITH DENSITY FUNCTIONAL AND ELIASHBERG THEORY Статья Yao Y., Tse J.S., Tanaka K., Marsiglio F., Ma Y. Physical Review B - Condensed Matter and Materials Physics. Том 79. 2009. 054524 с.
STRUCTURE AND ELECTRONIC PROPERTIES OF BAH<SUB>2</SUB> AT HIGH PRESSURE Статья Tse J.S., Song Z., Yao Y., Smith J.S., Desgreniers S., Klug D.D. Solid State Communications. Том 149. 2009. С. 1944-1946
PRESSURE-INDUCED STRUCTURAL TRANSFORMATION IN SOLID XENON STUDIED BY RAMAN SPECTROSCOPY Статья Shimizu H., Kume T., Sasaki S., Wada N., Yao Y., Tse J.S. Physical Review B - Condensed Matter and Materials Physics. Том 77. 2008. 052101 с.
METASTABLE HIGH-PRESSURE SINGLE-BONDED PHASES OF NITROGEN PREDICTED VIA GENETIC ALGORITHM Статья Yao Y., Tse J.S., Tanaka K. Physical Review B - Condensed Matter and Materials Physics. Том 77. 2008. 052103 с.
STRUCTURE AND SPECTROSCOPIC PROPERTIES OF DENSE SOLID HYDROGEN AT 160 GPA Статья Tse J.S., Yao Y., Klug D.D., Page Y.L., Rodgers J.R. Solid State Communications. Том 145. 2008. С. 5-10
ELECTRONIC STRUCTURE OF Ε-OXYGEN AT HIGH PRESSURE: GW CALCULATIONS Статья Tse J.S., Yao Y., Klug D.D., Desgreniers S. Physical Review B - Condensed Matter and Materials Physics. Том 78. 2008. 132101 с.
SUPERCONDUCTIVITY IN HYDROGEN DOMINANT MATERIALS: SILANE Статья Eremets M.I., Trojan I.A., Medvedev S.A., Tse J.S., Yao Y. Science. American Association for the Advancement of Science. Том 319. 2008. С. 1506-1509
PRESSURE-INDUCED HYDROGEN-DOMINANT METALLIC STATE IN ALUMINUM HYDRIDE Статья Goncharenko I., Eremets M.I., Trojan I.A., Hanfland M., Amboage M., Tse J.S., Yao Y. Physical Review Letters. Том 100. 2008. 045504 с.
BONDING IN THE Ε-PHASE OF HIGH PRESSURE OXYGEN Статья Tse S., Yao Y., Klug D., Desgreniers S. Journal of Physics: Conference Series. Том 121. 2008. 012006 с.
SUPERCONDUCTIVITY IN HIGH-PRESSURE SIH<SUB>4</SUB> Статья Yao Y., Tse J.S., Tanaka K., Ma Y. EPL. Institute of Physics and IOP Publishing Limited. Том 78. 2007. 37003 с.
ELECTRON-PHONON COUPLING IN THE HIGH-PRESSURE HCP PHASE OF XENON: A FIRST-PRINCIPLES STUDY Статья Yao Y., Tse J.S. Physical Review B - Condensed Matter and Materials Physics. Том 75. 2007.
SUPERCONDUCTIVITY IN HIGH-PRESSURE SOLIDS Статья Tse J.S., Yao Y., Ma Y. Journal of Physics Condensed Matter. Том 19. 2007. 425208 с.