Structural Chemistry,the journal,the discipline,bridge building,and our personal and professional practice

Structural Chemistry - This paper was written on the occasion of the 30th special Jubilee volume of Structural Chemistry journal in 2019. It offered us a unique opportunity to look at our common...     

Structural,electronic, and optical properties of some new dithienosilole derivatives

Structural Chemistry - Structural, electronic, and optical properties of a series of organic semiconductors based on dithienosilole (DTS) and its derivatives were theoretically studied using...     

BODIPY dimers: structure,interaction, and absorption spectrum

Structural Chemistry - The object of the present study are BODIPY molecules obtained previously by Piskorz et al. (Dyes Pigm. 178:108322, 2020) for their antimicrobial activity. Structural analysis...     

Interplay of thermochemistry and Structural Chemistry,the journal (volume 26, 2015, issue 5) and the discipline

Structural Chemistry - The content of the special combined issue for Magdolna (Magdi) Hargittai for the calendar year 2015 is summarized in the current review of the journal Structural Chemistry. A...     

Interplay of thermochemistry and Structural Chemistry,the journal (volume 27, 2016, issues 1-2) and the discipline

Structural Chemistry - The contents of issues 1 and 2 of Structural Chemistry from the calendar year 2016 are summarized in the present review. A brief thermochemical commentary and possible...     

Interplay of thermochemistry and Structural Chemistry,the journal (volume 28, 2017, issues 3–4) and the discipline

Structural Chemistry - The contents of issues 3 and 4 of Structural Chemistry from the calendar year 2017 are summarized in the present review. A brief thermochemical commentary and recommendations...     

Interplay of thermochemistry and Structural Chemistry, the journal (Volume 26, 2015, Issues 1–2) and the discipline

Structural Chemistry - The contents of issues 1 and 2 of Structural Chemistry from the calendar year 2015 are summarized in the present review. A brief thermochemical commentary and possible...     

Alan L. Mackay—Crystallographer,Universalist, Humanist

Structural Chemistry -     

Structure of the molecules of arylideneindanones,arylidenetetralones, and arylidenechromanones

Journal of Structural Chemistry -     

Atom-based 3D-QSAR,molecular docking,DFT, and simulation studies of acylhydrazone,hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors

Structural Chemistry - Since HIV-1 integrase makes use of host genome machinery to accomplish the replication process, where LEDGF/p75 (a cellular cofactor) executes in the lentiviral integration...     

Effects of substituents and charge on the RCHO⋯X–Y {X = Cl,Br, I; Y = –CF3, –CF2H, –CFH2, –CN, –CCH, –CCCN; R = –OH, –OCH3, –NH2, –O−} halogen-bonded complexes

Structural Chemistry - Noncovalent interactions involving halogen bonding interactions, one of the emerging interactions due to its directionality, have been a subject of interest for various...     

IR spectra,dipole moments,and conformations of bis(dichloroarsino)methane

Journal of Structural Chemistry -     

K-means clustering analysis,ADME/pharmacokinetic prediction,MEP, and molecular docking studies of potential cytotoxic agents

Structural Chemistry - In this paper, a combined approach based on a k-means algorithm and statistical analysis has been applied successfully to classify 500 cytotoxic agents using 21 molecular...     

Molecular structure of 1-methyl-5, 7-diphenyl-1, 3-diazaadamantan-6-one iodide

Journal of Structural Chemistry -     

4-Oxobenzo[d]1,2,3-triazin-pyridinium-phenylacetamide derivatives as new anti-Alzheimer agents: design,synthesis, in vitro evaluation,molecular modeling,and molecular dynamic study

Structural Chemistry - A new series of 4-oxobenzo[d]1,2,3-triazin-pyridinium-phenylacetamide hybrids 8a–p was designed, synthesized, and screened as the potential cholinesterase inhibitors...     

Production of the oxyfluorides of holmium,erbium, and ytterbium and study of their crystal-chemical properties

Journal of Structural Chemistry -     

ESR study of complexes of chromium(V) with O-, S-, and Se-containing ligands

Journal of Structural Chemistry -     

Marelene Rayner-Canham and Geoff Rayner-Canham,Chemistry was their life: Pioneering British women chemists, 1880–1949

Structural Chemistry -     

Molecular Structure,Electronic Properties,Homo–Lumo,MEP and NBO Analysis of (N-Isocyanimino) Triphenylphosphorane (Ph3PNNC): DFT Calculations

Journal of Structural Chemistry - N-isocyaniminotriphenylphosphorane (Ph3PNNC) is a type of iminophosphorane which is an important reagent in synthetic organic chemistry and a ligand in metallic...     

SYNTHESIS,CRYSTAL STRUCTURE,AND CONFORMATION OF N-ISONICOTINOYLPHTHALIMIDE

Journal of Structural Chemistry - The reaction of phthalic acid anhydride with isonicotinoylhydrazide is carried out under severe conditions with the formation of cyclic phthalic acid imide...