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PREDICTION OF STABLE IRON NITRIDES AT AMBIENT AND HIGH PRESSURES WITH PROGRESSIVE FORMATION OF NEW POLYNITROGEN SPECIES СтатьяWu L., Tian R., Wan B., Gong N., Chen P., Shen T., Gou H., Liu H., Yao Y., Gao F.Chemistry of Materials. Том 30. 2018. С. 8476-8485
PIEZOCHROMISM AND STRUCTURAL AND ELECTRONIC PROPERTIES OF BENZ[A] ANTHRACENE UNDER PRESSURE СтатьяCai W., Zhang R., Deemyad S., Yao Y.Physical Chemistry Chemical Physics. Том 19. 2017. С. 6216-6223
MODULATED STRUCTURE CALCULATED FOR SUPERCONDUCTING HYDROGEN SULFIDE СтатьяMajumdar A., Tse J.S., Yao Y.Angewandte Chemie - International Edition. Том 56. 2017. С. 11390-11393
NEW MULTIFUNCTIONAL TUNGSTEN NITRIDE WITH ENERGETIC N6 AND EXTREME HARDNESS PREDICTED FROM FIRST PRINCIPLES СтатьяLi Q., Sha L., Zhu C., Yao Y.EPL. Том 118. 2017. 46001 с.
SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE СтатьяAdeleke 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.
NOVEL BORON CHANNEL-BASED STRUCTURE OF BORON CARBIDE AT HIGH PRESSURES СтатьяZhang X., Cheng T., Chen H., Zhao Y., Zhang M., Liu H., Yao Y.Journal of Physics Condensed Matter. Том 29. 2017. 455401 с.
SUPERCONDUCTIVITY IN FEH5 СтатьяMajumdar A., Tse J.S., Wu M., Yao Y.Physical Review B . Том 96. 2017. 201107 с.
HYDROGEN SEGREGATION AND ITS ROLES IN STRUCTURAL STABILITY AND METALLIZATION: SILANE UNDER PRESSURE СтатьяCui W., Shi J., Wang H., Ma Y., Liu H., Yao Y., Iitaka T.Scientific Reports. Том 5. 2015. 13039 с.
STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE СтатьяLiu H., Yao Y., Klug D.D.Physical Review B: Condensed Matter and Materials Physics (с 1998 по 2015 год). Том 91. 2015. 014102 с.
CRYSTALLINE LIN5 PREDICTED FROM FIRST-PRINCIPLES AS A POSSIBLE HIGH-ENERGY MATERIAL СтатьяPeng F., Yao Y., Liu H., Ma Y.Journal of Physical Chemistry Letters. Том 6. 2015. С. 2363-2366
STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES СтатьяWang 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 (с 1998 по 2015 год). Том 92. 2015. 174106 с.
EXOTIC STABLE CESIUM POLYNITRIDES AT HIGH PRESSURE СтатьяPeng F., Han Y., Liu H., Yao Y.Scientific Reports. Том 5. 2015. 16902 с.
AMBIENT-PRESSURE POLYMERIZATION OF CARBON ANIONS IN THE HIGH-PRESSURE PHASE MG2C СтатьяStefanoski S., Strobel T.A., Liu H., Yao Y.Inorganic Chemistry. Том 54. 2015. С. 10761-10765
THEORETICAL PREDICTIONS OF NOVEL SUPERCONDUCTING PHASES OF BAGE3 STABLE AT ATMOSPHERIC AND HIGH PRESSURES СтатьяZurek E., Yao Y.Inorganic Chemistry. Том 54. 2015. С. 2875-2884