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Electronic structure of solid nitromethane:Effects of high pressure and molecular vacancies
Electronic structure solid nitromethane high pressure and molecular vacancies
2015/10/16
The combined effect of pressure and molecular vacancies on the atomic structure and electronic properties of solid nitromethane, a prototypical energetic material, is studied at zero temperature.The s...
First-Principle Calculations for Thermodynamic Properties
of LiBC Under High Temperature and High Pressure
thermal expansion heat capacity compressibility
LiBC full-potential linearized muffin-tin orbital
2007/8/15
2006Vol.46No.3pp.573-576DOI:
First-Principle Calculations for Thermodynamic Properties
of LiBC Under High Temperature and High Pressure
LIU Zhong-Li, CHENG Yan, TAN Ni-Na, and GO...
Theoretical Calculations for Structural, Elastic and Thermodynamic
Properties of MgB2 under High Pressure
elastic constants thermodynamic properties full-potential
linearized muffin-tin orbital MgB2
2007/8/15
2006Vol.45No.3pp.558-564DOI:
Theoretical Calculations for Structural, Elastic and Thermodynamic
Properties of MgB2 under High Pressure
WANG Hai-Yan,1,2 CHENG Yan,1,2 CHEN Xiang-Ro...