|
Katz A I, Schiferl D, Mills R L. New Phases and Chemical Reactions in Solid Carbon Monoxide under Pressure [J]. J Phys Chem, 1984, 88(15): 3176-3179.
|
|
Mills R L, Olinger B, Cromer D T. Structures and Phase Diagrams of N2 and CO to 13 GPa by X-Ray Diffraction [J]. J Chem Phys, 1986, 84(5): 2837-2845.
|
|
Reichlin R, Schiferl D, Martin S, et al. Optical Studies of Nitrogen to 130 GPa [J]. Phys Rev Lett, 1985, 55(14): 1464-1467.
|
|
Lipp M, Evans W J, Garcia-Baonza V, et al. Carbon Monoxide: Spectroscopic Characterization of the High-Pressure Polymerized Phase [J]. J Low Temp Phys, 1998, 111(3-4): 247-256.
|
|
Mills R L, Schiferl D, Katz A I, et al. New Phase and Chemical Reactions in Solid CO under Pressure [J]. J Phy(Pairs) Colloq, 1984, 45(C8): 187-190.
|
|
Lipps M J, Evans W J, Baer B J, et al. High Energy Density Extended CO Solid [J]. Nat Mater, 2005, 4: 211-215.
|
|
Evans W J, Lipps M J, Yoo C S, et al. Pressure-Induced Polymerization of Carbon Monoxide: Disproportionation and Synthesis of an Energetic Lactonic Polymer [J]. Chem Mater, 2006, 18(10): 2520-2531.
|
|
Bernard S, Chiarotti G L, Scandolo S, et al. Decomposition and Polymerization of Solid Carbon Monoxide under Pressure [J]. Phys Rev Lett, 1998, 81(10): 2092-2095.
|
|
Ji G F, Li X F, Zhang Y L, et al. The Investigations of the Chemical Reaction of Carbon Monoxide under Pressure and Temperature [A]//The 8th Nationwide Discussing Conference of Shocking Dynamics [C]. Yinchuan, 2006: 347-350. (in Chinese)
|
|
姬广富, 李晓凤, 张艳丽, 等. CO在高温高压下的反应动力学研究 [A]//第八届全国冲击动力学学术讨论会会议文集 [C]. 银川, 2006: 347-350.
|
|
Martyna G J, Tobias J T, Klein M L. Constant Pressure Molecular Dynamics Algorithms [J]. J Chem Phys, 1994, 101(5): 4177-4189.
|
|
Quigley D, Probert M I J. Langevin Dynamics in Constant Pressure Extended Systems [J]. J Chem Phys, 2004, 120(24): 11432-11441.
|
|
Payne M C, Teter P, Allen D C, et al. Iterative Minimization Techniques for Ab Initio Total-Energy Calculations: Molecular Dynamics and Conjugate Gradients [J]. Rev Mod Phys, 1992, 64(4): 1045-1097.
|
|
Milman V, Winkler B, White J A, et al. Electronic Structure, Properties, and Phase Stability of Inorganic Crystals: A Pseudopotential Plane-Wave Study [J]. Int J Quantum Chem, 2000, 77(5): 895-910.
|
|
Perdew J P, Wang Y. Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy [J]. Phys Rev B, 1992, 45(23): 13244-13249.
|
|
Hamann D R, Schluter M, Chiang C. Norm-Conserving Pseudopotentials [J]. Phys Rev Lett, 1979, 43(20): 1494-1497.
|
|
Nos S. A Molecular Dynamics Method for Simulations in the Canonical Ensemble [J]. Mol Phys, 1984, 52(2): 255-268.
|
|
Parrinello M, Rahman A. Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method [J]. J Appl Phys, 1981, 52(12): 7182-7190.
|
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