Movimento Rotacional Dinamica Rigida
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1. Estudo das estruturas de solvatação e das propriedades dinamicas de soluções aquosas de Li2C4O4 por simulações de dinamica molecular
Molecular dynamic simulation was performed for the first time to Li2C4O4 aqueous solution with the objective of studying solvation of squaric anion in the microscopic level and get a better understanding of the behavior of this anion in solution. Through an analysis of the simulation trajectories, we suggested a possible structure to the solvent cage whose e
Publicado em: 2000