Literature DB >> 17551205

The experimental library multipolar atom model refinement of L-aspartic acid.

El-eulmi Bendeif1, Christian Jelsch.   

Abstract

The crystal structure of L-aspartic acid, C(4)H(7)NO(4), has been determined using two types of refinement, viz. the standard independent atom model (IAM) and the experimental library multipolar atom model (ELMAM). The ELMAM refinement shows a good improvement of the statistical indices compared with the IAM model, notably in terms of thermal displacement parameters and bond distances involving H atoms.

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Year:  2007        PMID: 17551205     DOI: 10.1107/S0108270107021671

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  5 in total

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4.  Amino Acid Chiral Selection Via Weak Interactions in Stellar Environments: Implications for the Origin of Life.

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Journal:  Sci Rep       Date:  2018-06-11       Impact factor: 4.379

5.  Using invariom modelling to distinguish correct and incorrect central atoms in `duplicate structures' with neighbouring 3d elements.

Authors:  Claudia M Wandtke; Matthias Weil; Jim Simpson; Birger Dittrich
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2017-09-29
  5 in total

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