FIRST-PRINCIPLES MOLECULAR DYNAMICS SIMULATIONS OF SINGLE NITROGEN BOND STRUCTURES IN A N <SUB>2</SUB> –H <SUB>2</SUB> SYSTEM UNDER PRESSURE Статья Zhong X., Liu H., Tse J.S. Solid State Communications. Том 290. 2019. С. 27-30
THEORETICAL INVESTIGATION OF THE VALENCE STATES IN AU VIA THE AU-F COMPOUNDS UNDER HIGH PRESSURE Статья Liu G., Liu H., Feng X., Redfern S.A.T., Wang L., Gao G., Yong X. Physical Chemistry Chemical Physics. Том 21. 2019. С. 17621-17627
CRYSTAL STRUCTURES AND ELECTRONIC PROPERTIES OF XE-CL COMPOUNDS AT HIGH PRESSURE Статья Zarifi N., Zurek E., Liu H., Tse J.S. Журнал физической химии С. Том 122. 2018. С. 2941-2950
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
SYNTHESIS OF XENON AND IRON-NICKEL INTERMETALLIC COMPOUNDS AT EARTH'S CORE THERMODYNAMIC CONDITIONS Статья Stavrou E., Zaug J.M., Yao Y., Goncharov A.F., Lobanov S.S., Liu H., Greenberg E., Prakapenka V.B. Physical Review Letters. Том 120. 2018. 096001 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.
ELECTRON-PHONON COUPLING MECHANISMS FOR HYDROGEN-RICH METALS AT HIGH PRESSURE Статья Tanaka K., Tse J.S., Liu H. Physical Review B. Том 96. 2017. 100502 с.
CRYSTAL STRUCTURES OF CAB<SUB>3</SUB>N<SUB>3</SUB> AT HIGH PRESSURES Статья Zhang M., Chen J., Tse J.S., Guo Y., Zhu L., Liu H., Feng X., Redfern S.A.T. Inorganic Chemistry. Том 56. 2017. С. 7449-7453
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.
HOW FUNCTIONAL GROUPS CHANGE THE ELECTRONIC STRUCTURE OF GRAPHDIYNE: THEORY AND EXPERIMENT Статья Ketabi N., Tolhurst T.M., Leedahl B., Moewes A., Liu H., Li Y. Carbon. Elsevier Ltd. Том 123. 2017. С. 1-6
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
POLYMERIZATION OF NITROGEN IN AMMONIUM AZIDE AT HIGH PRESSURES Статья Yu H., Duan D., Tian F., Li D., Huang X., Liu Y., Liu B., Cui T., Liu H. Журнал физической химии С. Том 119. 2015. С. 25268-25272
FIRST-PRINCIPLES STUDY ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF METALLIC HFH<SUB>2</SUB> UNDER PRESSURE Статья Liu Y., Huang X., Duan D., Tian F., Li D., Zhao Z., Sha X., Yu H., Zhang H., Liu B., Cui T., Liu H. Scientific Reports. Nature Publishing Group. Том 5. 2015. 11381 с.
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.
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.
A NEW HIGH-PRESSURE POLYMERIC NITROGEN PHASE IN POTASSIUM AZIDE Статья Zhang M., Yan H., Wei Q., Liu H. RSC Advances. Том 5. 2015. С. 11825-11830
HIGH-PRESSURE HYDROGEN SULFIDE FROM FIRST PRINCIPLES: A STRONGLY ANHARMONIC PHONON-MEDIATED SUPERCONDUCTOR Статья Errea I., Calandra M., Mauri F., Pickard C.J., Nelson J., Needs R.J., Li Y., Liu H., Zhang Y., Ma Y. Physical Review Letters. Том 114. 2015. 157004 с.
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
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.
MECHANISMS FOR PRESSURE-INDUCED CRYSTAL-CRYSTAL TRANSITION, AMORPHIZATION, AND DEVITRIFICATION OF SNI<SUB>4</SUB> Статья Liu H., Tse J.S., Hu M.Y., Bi W., Zhao J., Alp E.E., Pasternak M., Taylor R.D., Lashley J.C. The Journal of Chemical Physics. Том 143. 2015. 164508 с.
PRESSURE-STABILIZED SUPERCONDUCTIVE YTTRIUM HYDRIDES Статья Li Y., Hao J., Wang Y., Ma Y., Liu H., Tse J.S. Scientific Reports. Nature Publishing Group. Том 5. 2015. 9948 с.
PREDICTION OF THE XE-HE BINARY PHASE DIAGRAM AT HIGH PRESSURES Статья Wang Y., Zhang J., Yang G., Liu H. Chemical Physics Letters. Elsevier. Том 640. 2015. С. 115-118
PREDICTED TWO-DIMENSIONAL ELECTRIDES: LITHIUM-CARBON MONOLAYER SHEET Статья Lu M., Zhang M., Liu H. Physics Letters, Section A: General, Atomic and Solid State Physics. Том 379. 2015. С. 2511-2514
UNRAVELING STABLE VANADIUM TETRABORIDE AND TRIBORIDE BY FIRST-PRINCIPLES COMPUTATIONS Статья Wu L., Wan B., Zhao Y., Zhang Y., Wang Y., Zhang J., Gou H., Liu H. Журнал физической химии С. Том 119. 2015. С. 21649-21657
THE ELECTRICAL CONDUCTIVITY OF AL<SUB>2</SUB>O<SUB>3</SUB> UNDER SHOCK-COMPRESSION Статья Liu H., Tse J.S., Nellis W.J. Scientific Reports. Nature Publishing Group. Том 5. 2015. 12823 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.
PREDICTION OF NOVEL CRYSTAL STRUCTURES AND SUPERCONDUCTIVITY OF COMPRESSED HBR Статья Lu S., Yang B., Wu M., Liu H., Tse J.S. RSC Advances. Том 5. 2015. С. 45812-45816
CRYSTAL STRUCTURES AND CHEMICAL BONDING OF MAGNESIUM CARBIDE AT HIGH PRESSURE Статья Liu H., Li Y., Tse J.S., Gao G., Hao J. Журнал физической химии С. Том 119. 2015. С. 23168-23174
HIGH-ENERGY DENSITY AND SUPERHARD NITROGEN-RICH B-N COMPOUNDS Статья Li Y., Hao J., Liu H., Lu S., Tse J.S. Physical Review Letters. Том 115. 2015. 105502 с.
PRESSURE-INDUCED ZIGZAG PHOSPHORUS CHAIN AND SUPERCONDUCTIVITY IN BORON MONOPHOSPHIDE Статья Zhang X., Zhang S., Ma M., Liu R., Qin J., Liu H., Luo W., Ahuja R. Scientific Reports. Nature Publishing Group. Том 5. 2015. 8761 с.
THE METALLIZATION AND SUPERCONDUCTIVITY OF DENSE HYDROGEN SULFIDE Статья Li Y., Hao J., Liu H., Ma Y. The Journal of Chemical Physics. Том 140. 2014. 174712 с.
SUPERHARD SP<SUP>3</SUP> CARBON ALLOTROPE: AB INITIO CALCULATIONS Статья Zhang Z., Zhang M., Liu H. EPL. Institute of Physics and IOP Publishing Limited. Том 108. 2014. 46006 с.
HARDNESS OF FEB<SUB>4</SUB>: DENSITY FUNCTIONAL THEORY INVESTIGATION Статья Zhang M., Du Y., Gao L., Lu M., Lu C., Liu H. The Journal of Chemical Physics. Том 140. 2014. 174505 с.
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.
STABILITY OF ROCKSALT PHASE OF ZINC OXIDE UNDER STRONG COMPRESSION: SYNCHROTRON X-RAY DIFFRACTION EXPERIMENTS AND FIRST-PRINCIPLES CALCULATION STUDIES Статья Liu H., Mao H.-K., Tse J.S. Journal of Applied Physics. Том 100. 2006.