论文信息 - Parst: A system of fortran routines for calculating molecular structure parameters from results of crystal structure analyses

Parst: A system of fortran routines for calculating molecular structure parameters from results of crystal structure analyses

Abstract Given a set of atomic positional and thermal parameters in a crystal defined by the unit cell constants and the space group symmetry operations, the ti The estimated standard deviations of the derived quantities are calculated from the e.s.d.'s of the atomic parameters and unit cell constants, neglecti

M. Nardelli | M. Nardelli

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