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分离线和驱动力从计算机模拟中核化水合物

Jesús Algaba1, Miguel J Torrejón1, Felipe J Blas1

  • 1Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain.

The Journal of chemical physics
|December 13, 2023
PubMed
概括

计算机模拟使用一种新的溶解度方法确定了水合物解离线. 在研究范围内,压力对水合物核化驱动力的影响微不足道.

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