位置：成果数据库 > 期刊 > 期刊详情页
Thermal Decomposition of the Solid Phase of Nitromethane: Ab Initio Molecular Dynamics Simulations
  • ISSN号：0031-9007
  • 期刊名称：Physical Review Letters
  • 时间：0
  • 页码：105-113
  • 语言：英文
  • 相关项目：500万大气压范围内金属铁熔化熵的从头计算
作者： Zhang, Qing-Ming|Gong, Zi-Zheng|Lian, Peng|Chang, Jing|Chen, Xiang-Rong|Wei, Dong-Qing|
同期刊论文项目
500万大气压范围内金属铁熔化熵的从头计算
期刊论文 60
同项目期刊论文
Structural, electronic, elastic properties and stabilities of hexagonal ZrNiAl alloy and its hydride
The mechanism of structure phase transition from alpha Fe to epsilon Fe under uniaxial strain: First
Theoretical investigation of the high pressure structure, lattice dynamics, phase transition, and th
Structural and elastic properties of typical equiatomic ternary intermetallic compound TiNiSi under
Phase transition and thermodynamics of thorium from first-principles calculations
First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys
First-principles calculations of elastic and electronic properties of NbB2 under pressure
高压下ε-Fe的磁性、热力学性质及熔化曲线
First-principles calculations for electronic and optical properties of the zinc-blende structured Be
First-principle calculations of the structure and elastic properties of GaAs under pressure
First-principles calculations for elastic properties of OsB2 under pressure
Elastic constants and anisotropy of RuB2 under pressure
Structures and absorption spectra of sulfur cluster S-9 via first-principles calculations
Elastic constants and anisotropy of beta-BC2N under pressure
Electronic transport across S-9 sulfur clusters
Phase Transition and Phonon Spectrum of Zinc-Blende Structure ZnX (X = S, Se, Te)
Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure
Magnetism and phase transitions of iron under pressure
Thermal equation of state, and melting and thermoelastic properties of bcc tantalum from molecular d
Phase Transition and Thermodynamics of Ruthenium Diboride via First-Principles Calculations
Phase transition and elastic properties of BeO under pressure from first-principles calculations
First-Principle Calculations for Elastic and Thermodynamic Properties of Diamond
Structural and Thermodynamic Properties of Cerium via First-Principles Plane Wave Method with a Rela
Phase transition and thermodynamic properties of TiO2 from first-principles calculations
Structure phase transition from alpha to epsilon in Fe under non-hydrostatic pressure: an ab initio
Ab initio refinement of the thermal equation of state for bcc tantalum: the effect of bonding on anh
Elastic and electronic properties of perovskite type superconductor MgCNi3 under pressure
First-principles calculations for elastic properties of rutile TiO2 under pressure
Phase transition and thermodynamic properties of SrS via first-principles calculations
Pressure and temperature induced phase transition of ZnS from first-principles calculations
First-principles calculations for elastic properties of ZnS under pressure
Structures and equation of state of epsilon-Fe under high pressure
Structures and phase transition of GaAs under pressure
First-principle calculations of elastic properties of Wurtzite-type aluminum nitride under pressure
Electronic structure and thermodynamic properties of LiBC under high pressure
Ab initio calculations of the thermodynamics and phase diagram of zirconium
First-principles calculations for electronic, optical and thermodynamic properties of ZnS
Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis
Phase Transition and Melting Curve of Calcium Fluoride via Molecular Dynamics Simulations
First-principles phase transition and equation of state of titanium
关于铁的势函数的研究
Phase transition and elastic constants of zirconium from first-principles calculations
First-principles investigations on elastic and thermodynamic properties of zinc-blende structure BeS
单轴应变条件下Fe从α到ε结构相变机制的第一性原理计算
BeO高压相变和声子谱的第一性原理计算
Electronic and optical properties of the zinc-blende structured LiZnN under pressure
Electronic structure and thermodynamic properties of LiBC under high pressure
Phase transition and thermodynamic properties of SrS via first-principles calculations
Structural, thermodynamic and electronic properties of zinc-blende A1N from first-principles calculations
First-principles calculations for electronic, optical and thermodynamic properties of ZnS
First-principles investigations on elastic and thermodynamic properties of zinc-blende structure BeS
First-principles calculations for elastic properties of rutile TiO2 under pressure
Concentration-dependent crystal structure, elastic constants and electronic structure of ZrxTi1-x alloys under high pressure
Structural and thermodynamic properties of OsN2 from first-principles calculations