论文信息 - A Genetic Algorithm for Crystal Structure Solution from Powder Diffraction Data

A Genetic Algorithm for Crystal Structure Solution from Powder Diffraction Data

A genetic algorithm is used as the basis of a new technique for crystal structure solution from powder diffraction data; two examples of successful structure solution illustrate the potential of this approach.

K. Harris | R. Johnston | B. Kariuki | M. Tremayne

[1] Kenneth D. M. Harris,et al. Structure Determination of a Complex Organic Solid from X‐Ray Powder Diffraction Data by a Generalized Monte Carlo Method: The Crystal Structure of Red Fluorescein , 1997 .

[2] K. Harris,et al. The development of Monte Carlo methods for crystal structure solution from powder diffraction data: simultaneous translation and rotation of a structural fragment within the unit cell , 1996 .

[3] Kenneth D. M. Harris,et al. CRYSTAL STRUCTURE DETERMINATION FROM POWDER DIFFRACTION DATA BY MONTE CARLO METHODS , 1994 .