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Singularity-free static lattice energy minimization
ArticleAbstract: Comparative analyses are made of static lattice energy minimization procedures based on Newton or quPalabras claves:Autores:Andreas Griewank, Evans D.J., Markey B.R.Fuentes:scopusStructural disturbance and lattice relaxation in molecular crystal packing calculations
ArticleAbstract: Lattice calculations on impurity-containing crystals are reported, made with the help of standard inPalabras claves:Autores:Andreas Griewank, Craig D., Markey B.R.Fuentes:scopus