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Information should be transferred from quantum chemistry to the atomistic description, in a general way, based on the application of a force field.
Journal of Physical Chemistry B, 2007. 111(9): p. 2143-2151
[4] Deriu M.A., et al., Tubulin: from atomistic structure to supramolecular mechanical properties.
Journal of Physical Chemistry B, 2008. 112(14): p. 4194-4203
Journal of Physical Chemistry B, 2007. 111(37): p. 10938-10945

Characterization of nanoparticles Structure and morphology of the final product have been studied using X-ray diffraction and FT-IR.
Egerton: Materials Chemistry and Physics, Vol.133(2012), p.304-310
Mikhailov: Journal of Inorganic Chemistry, Vol.55(2010)NO.12, p.1850-1856
Fu: progress in chemistry.
Zhang: Materials Chemistry.

Structure of anatase TiO2.
Figure (1) shows the structures of the anatase (TiO2).
The structure shows some cluster particles and dark regions.
[20] Viswanath, Journal of physics and chemistry of Solids 62 (2001) 1991-1998
[21] Jiang Hnngbo and Gao Lian., Materials Chemistry and Physics 9489 (2002),p.1 [22] Mardare Diana and Rusu, G.

The layered polymer structure has been revealed.
Introduction Metal β-diketonates are in the focus of the chemistry of coordination compounds of the chelate nature.
The polymer structure.
Chemistry. 32 (2006) 359
Nekrasov, General Chemistry Basics, Khimia, 1970

These show that the sample structure of drying has lattice defect, and that it may due to water sandwiched between the crystal Figure 1.
(a): produced precursor is uniform granular structure and looks no agglomeration.
(c): Particle surface shows grain structure.Fig2.
(d): precursor has the field structure, which is easily embedded by lithium ions, prepared for the post producing LiNi0.5Mn1.5O4.
[10] C.Delmas, C.Tessier, Journal of Materials Chemistry [J], 1997, 7(8): 453.

The XRD pattern inferred the formation of cubic spinel structure with average crystallite size 35.3 nm.
FNPs are metal oxide with spinel structure and general formula AB2O4.
Takada, Journal of Materials Chemistry, 14 (2004) 3328-3332
Yun, Coordination Chemistry Reviews, 315 (2016) 90-111
Bououdina, Journal of Physics and Chemistry of Solids, 108 (2017) 61-75

Surface properties were modified by ionized radiation, that caused the creation of crosslinked structure in polyethylene.
A short-chain branched molecular structure and its distribution causes these good mechanical properties.
Radiation cross-linking creates changes in the LLDPE structure by creating 3D net.
Beta radiation gradually penetrates more deeply into the LLDPE structure through the surface layer.
Radiation Physics and Chemistry 97 (2014), 165-171

Synthesis of Li+ Memorized Spinel Li3Mn0.75O3 by a Solid State Reaction Crystallization Method Jinhe Jiang MicroScale Science Institute , Department of Chemistry and Chemical Engineering ,Weifang University, Weifang, 261061,China Corresponding author.
In this paper, inorganic ion exchanger (Li3Mn0.75O3) with a spinel structure ion memory was synthesized by solid state reaction crystallization method, which is different the reported in the literatures[3-4], and its ion-exchange properties were studied.
The structure of compound metal oxide Li3Mn0.75O3 crystallized at 700˚C was much perfect.
Chemistry Online. 1997,(12),11-16 [2] Li Peng Liu, Ya Dong Li.
Chinese Journal of Applied Chemistry. 2000,17(3),307 [4] Zhi Yong Ji, Chang Chun Xu, Sheng Yuan Jun, etc. spinel-type lithium-ion sieve research [J].

Helical structure ZnS were successfully prepared via solvothermal method by the reaction of zinc acetate and sodium sulphide.
The pitch of the helical structure ZnS is about 20nm.
Most of the nanostructures appear to be fairly uniform in size and shape, with long and helical structure.
(3) The helical structure ZnS grow via an Ostwald ripening process.
Luo: Chinese Journal of Inorganic Chemistry Vol. 23 (2007), p. 1864 [2] Y.

Sodium sulfide (Na2S·9H2O: 98%) and Zinc acetate (Zn(Ac)2: 99.0%) were purchased from Tianjin Kermel Chemistry Reagent Co., Ltd.
Thioglycolic Acid (C2H4O2S: 99.8%) was purchased from Tianjin FuYu Chemistry Reagent Co., Ltd.
The phase structure of ZnS: Cu/Fe nanocrystals were identified by X-ray diffraction (XRD) (DX-1000, Dandong, China).
The pattern of ZnS: Cu/Fe nanocrystals exhibits a cubic structure with some peaks for (311), (220) and (111) planes.
ZnS: Cu/Fe nanoparticles have a particle size about 7 nm and possess a cubic zinc blende crystal structure.