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Variational Quantum Monte Carlo Method: A pedagogical approach
Universitat Jaume I (2020-09-24)We present a report that describes the stochastic variational Monte Carlo method underlying ideas and techniques, such as the Metropolis Algorithm in a multi-dimensional space. We design Fortran codes that generates, ... -
Vicinal diamines from commercial aldehydes
Universitat Jaume I (2016-09-22)Vicinal diamines are versatile building blocks in organic chemistry. This moiety is present in many Natural compounds that have biological activity. For these reasons, they have been used in synthesis, catalysis and medicinal ... -
Visualization of the Jahn-Teller distortion using as platform the extended Hückel Theory
Universitat Jaume I (2017-07-28)Teaching the Jahn-Teller theorem offers several challenges. For many students, the first encounter comes in coordination chemistry, which can be difficult due to the already complicated nature of transition-metal complexes. ... -
Water-based pigment ink development for textile printing
Universitat Jaume I (2017)