Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-N,N′-bis(O,O′-diarylphosphoramidate)

Gholivand, K.; Valmoozi, A.A.E.; Mahzouni, H.R.

doi:10.1107/S2052519212048336

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
Model to describe the hydrogen-bonded cluster for DFT calculations, in which the molecule ndl is the target molecule in the center. A similar model was considered for another molecule, in which the molecule prm in the center is the target molecule.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 69| Part 1| December 2013| Pages 55-61

doi:10.1107/S2052519212048336

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