Computational Modelling — Fabrication of nonlinear optical metal-organic framework dizinc tetraglycinate dihydrate with optical limiting applications

Measurement evidence

Computational Modelling

Fabrication of nonlinear optical metal-organic framework dizinc tetraglycinate dihydrate with optical limiting applications · Bright K.C., Anila R.N., Anugop B. et al. · Journal of Materials Science: Materials in Electronics · 2024 · 2224

1 measurement group · 5 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

Hirshfeld surface analysis using Crystal Explorer 17.5

DZTGD single crystal · Single Crystal

3D surfaces mapped over di, de and dnorm; fingerprint plots and contact percentages evaluated

Geometry
crystal-structure-derived surface analysis
Context
pristine DZTGD
Measurement source
6 · 4.4 Hirshfeld surface analysis · Figs. 6-9
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Hirshfeld dnorm maximum1.1244 auText
Exact Reported
6 · 4.4 Hirshfeld surface analysis · Fig. 6
Hirshfeld dnorm minimum-0.6202 auText
Exact Reported
6 · 4.4 Hirshfeld surface analysis · Fig. 6
H...H contact contribution32%Text
Rounded Reported
7 · 4.4 Hirshfeld surface analysis · Fig. 9
O...H contact contribution27%Text
Rounded Reported
7 · 4.4 Hirshfeld surface analysis · Fig. 9
Zn-O contact contribution7.1%Text
Exact Reported
7 · 4.4 Hirshfeld surface analysis · Fig. 9