Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of p-nitro­benzoic acid

Zong, S.; Wang, J.; Wu, H.; Liu, Q.; Hao, Y.; Huang, X.; Wu, D.; Zhou, G.; Hao, H.

doi:10.1107/S2052520619009478

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

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Figure 1
Optimized geometries and binding energies (kJ mol⁻¹) for 1:1 PNBA-solvent complexes, calculated at M062X/6-31G(d,p) level. Carbon-grey, hydrogen-white, oxygen-red, nitrogen-blue, sulfur-yellow, chlorine-green.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 75| Part 5| October 2019| Pages 845-854

https://doi.org/10.1107/S2052520619009478

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