Parallel-Tempering Monte Carlo Study of (H_2O)_(n=6-9)

Arnold N. Tharrington; Kenneth D. Jordan

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Parallel-Tempering Monte Carlo Study of (H_2O)_(n=6-9)

机译：（H_2O）_（n = 6-9）的平行回火蒙特卡洛研究

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Parallel-tempering Monte Carlo simulations are used to characterize the finite temperature behavior of the (H_2O)_(n=6-9) clusters. The heat capacities, quenched energy distributions, and Landau free energies are calclated and used to address the nature of the structural transformations that occur with increasing temperature.

机译：平行回火蒙特卡洛模拟用于表征（H_2O）_（n = 6-9）团簇的有限温度行为。计算热容量，淬灭的能量分布和朗道自由能，并用于解决随着温度升高而发生的结构转变的性质。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2003年第38期|共10页
作者
Arnold N. Tharrington; Kenneth D. Jordan;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Parallel-Tempering Monte Carlo Study of (H_2O)_(n=6-9) [J] . Arnold N. Tharrington, Kenneth D. Jordan The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2003,第38期

机译：（H_2O）_（n = 6-9）的平行回火蒙特卡洛研究
2. Experimental study and Monte-Carlo simulation of the nucleation and growth processes during the dehydration of Li_2SO_4 centre dot H_2O single crystals [J] . Loic Favergeon, Michele Pijolat, Francoise Valdivieso, Physical chemistry chemical physics: PCCP . 2005,第21期

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6. Attrition and generalizability in longitudinal studies: findings from a 15-year population-based study and a Monte Carlo simulation study [O] . Kristin Gustavson, Tilmann von Soest, Evalill Karevold, 2012

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Parallel-Tempering Monte Carlo Study of (H_2O)_(n=6-9)

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