Structural correlation and computational quantum chemical explorations of two 1,2,3-triazolyl-methoxypyridine derivatives as CYP51 antifungal inhibitors

Structural Chemistry - Structural correlation and computational quantum chemical optimization of two 1,2,3-triazolyl-methoxypyridine derivatives fused with a five-membered heterocyclic moiety,...     

Predictive QSAR models for the anti-cancer activity of topoisomerase IIα catalytic inhibitors against breast cancer cell line HCT15: GA-MLR and LS-SVM modeling

Structural Chemistry - Structural analysis of topoisomerase IIα catalytic inhibitors exhibited anti-tumor properties to use them in cancer therapeutic procedures. In this study, a quantitative...     

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...     

STRUCTURAL FEATURES AND CATALYTIC PROPERTIES OF AgFeO2 BINARY OXIDE IN THE СО OXIDATION REACTION

Journal of Structural Chemistry - Structural features and catalytic properties of silver and iron binary oxide AgFeO2 in the СО oxidation reaction are investigated. Binary oxide samples...     

Interplay of thermochemistry and Structural Chemistry: the journal (volume 29, 2018, issues 1–2) and the discipline

Structural Chemistry - The contents of issues 1 and 2 of Structural Chemistry from the calendar year 2018 are summarized in the present review. A brief thermochemical commentary and recommendations...     

Synthesis,structural analysis,and photophysical properties of bi-1,2,3-triazoles

Structural Chemistry - Structural insights of a group of bi-1,2,3-triazoles derived from oxidative CuAAC are described through an X-ray crystallography study, distinguishing a dihedral angle which...     

Jerzy Leszczynski—congratulations

Structural Chemistry - Jerzy Leszczynski is a much decorated chemist. He has been the Editor of Structural Chemistry for fifteen years and we join in the celebration of his 70th birthday.     

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 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...     

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...     

Internal rotation potential functions of an acryloyl fluoride molecule in the ground (S 0) and excited (S 1) electronic states

Journal of Structural Chemistry - Structural parameters of trans- and cis-isomers of an acryloyl fluoride molecule in the ground (S 0) and excited (S 1) electronic states are determined. The...     

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...     

The structure of β-diketones related to curcumin determined by X-ray crystallography,NMR (solution and solid state) and theoretical calculations

Structural Chemistry - Structural data are reported on sixteen ketoenols of β-diketones: solution NMR, solid-state NMR (CPMAS and MAS) and X-ray crystallography (four compounds, where three...     

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...     

Laser ionization of solid RDX: a density functional theory study

Structural Chemistry - Structural changes induced via ionization in an RDX lattice have been studied by using optimized [(RDX)2]0 conformers comprising eight combinations of four RDX isomers using...     

Structural Studies of Novel Coordination Compounds Run in the Nesmeyanov Institute of Organoelement Compounds,Russian Academy of Sciences

In this paper, selected results of the structural and theoretical studies of different types of coordination compounds synthesized in the Laboratory of X-ray Structural Studies of the Nesmeyanov Institute of Organoelement Compounds (NIOC), Russian Academy of Sciences (Center for X-ray Structural Studies in the General and Technical Chemistry Division, RAS) are presented.     

H2: An Archetypal Molecule or an Odd Exception?

Structural Chemistry -     

Book Reviews

Structural Chemistry -     

Introduction

Structural Chemistry -