검색결과 : 24건
| No. | Article |
|---|---|
| 1 |
Predicted Reaction Mechanisms, Product Speciation, Kinetics, and Detonation Properties of the Insensitive Explosive 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105) Hamilton BW, Steele BA, Sakano MN, Kroonblawd MP, Kuo IFW, Strachan A Journal of Physical Chemistry A, 125(8), 1766, 2021 |
| 2 |
High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity Steele BA, Stavrou E, Prakapenka VB, Kroonblawd MP, Kuo IFW Journal of Physical Chemistry A, 124(50), 10580, 2020 |
| 3 |
An Isosymmetric High-Pressure Phase Transition in alpha-Glycylglycine: A Combined Experimental and Theoretical Study Clarke SM, Steele BA, Kroonblawd MP, Zhang DZ, Kuo IFW, Stavrou E Journal of Physical Chemistry B, 124(1), 1, 2020 |
| 4 |
First-Principles Molecular Dynamics Study of a Deep Eutectic Solvent: Choline Chloride/Urea and Its Mixture with Water Fetisov EO, Harwood DB, Kuo IFW, Warrag SEE, Kroon MC, Peters CJ, Siepmann JI Journal of Physical Chemistry B, 122(3), 1245, 2018 |
| 5 |
Determination of enthalpies of formation of energetic molecules with composite quantum chemical methods Manaa MR, Fried LE, Kuo IFW Chemical Physics Letters, 648, 31, 2016 |
| 6 |
Toward a Unified Picture of the Water Self-Ions at the Air-Water Interface: A Density Functional Theory Perspective Baer MD, Kuo IFW, Tobias DJ, Mundy CJ Journal of Physical Chemistry B, 118(28), 8364, 2014 |
| 7 |
Ultrafast Shock Initiation of Exothermic Chemistry in Hydrogen Peroxide Armstrong MR, Zaug JM, Goldman N, Kuo IFW, Crowhurst JC, Howard WM, Carter JA, Kashgarian M, Chesser JM, Barbee TW, Bastea S Journal of Physical Chemistry A, 117(49), 13051, 2013 |
| 8 |
Understanding the Surface Potential of Water Kathmann SM, Kuo IFW, Mundy CJ, Schenter GK Journal of Physical Chemistry B, 115(15), 4369, 2011 |
| 9 |
Vapor-Liquid Coexistence Curves for Methanol and Methane Using Dispersion-Corrected Density Functional Theory McGrath MJ, Kuo IFW, Ghogomu JN, Mundy CJ, Siepmann JI Journal of Physical Chemistry B, 115(40), 11688, 2011 |
| 10 |
Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential Maerzke KA, McGrath MJ, Kuo IFW, Tabacchi G, Siepmann JI, Mundy CJ Chemical Physics Letters, 479(1-3), 60, 2009 |