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El cambio climático y la química computacional: una perspectiva molecular
(Pontificia Universidad Católica del Perú, 2017-10-03)
The urgent need to understand the frequent negative changes that the planet Earth suffer on its soil, rivers and atmosphere and the need to mitigate climate change makes computational chemistry stand out as a branch of ...
La Era Digital en la Química Farmacéutica: Transformando el Diseño de Medicamentos con Métodos Computacionales
(Pontificia Universidad Católica del Perú, 2023-11-28)
Drug design has significantly benefited from advancements in computational chemistry and neural networks. In this article, we explore the pivotal role played by computational chemistry techniques such as Density Functional ...
Un laboratorio de silicio: química sin reactivos
(Pontificia Universidad Católica del Perú, 2013-05-19)
The 2013 Nobel Prize in chemistry was awarded to A.Warshel, M.Levitt and M.Karplus for their contribution to the development of hybrid methods for computational chemistry. In this article a brief introduction about ...