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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...
ab initio Study of Electronic Structure and Magnetic
Properties of a Novel Two-Dimensional Copper(II)-Radical Complex
[Cu(NTTmPy)2(N3)2]n
organic magnet electronic structure
2007/8/15
2004Vol.41No.1pp.119-122DOI:
ab initio Study of Electronic Structure and Magnetic
Properties of a Novel Two-Dimensional Copper(II)-Radical Complex
[Cu(NTTmPy)2(N3)2]n
YAO Kai-Lun,...
Studies on Electronic Structure and Magnetic Properties of an Organic
Magnet with Metallic
Mn2+ and
Cu2+
Ions
density-functional theory non purely organic magnet electronic structure
ferromagnetic properties
2007/8/15
2004Vol.42No.5pp.798-800DOI:
Studies on Electronic Structure and Magnetic Properties of an Organic
Magnet with Metallic
Mn2+ and
Cu2+
Ions
YAO Jian-Guo1 and PENG Guang-Xiong2
...