Published: 4 August 2019

Lilia Xie, Eugeny V. Alexandrov, Grigorii Skorupskii, Davide M Proserpio and Mircea Dinca Diverse π–π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal–organic frameworks. Chemical Science, 2019. doi:10.1039/C9SC03348C IF 9.556 Read more... 

Tags: , ,

Published: 25 July 2019

Yingying Sun, Ruidan Ma, Fengyuan Wang, Xianmin Guo, Shaowen Sun, Huadong Guo, Eugeny V. Alexandrov Two Novel Self-Catenated Metal-Organic Frameworks with Large Accessible Channels Obtained by Mixed-Ligand Strategy: Adsorption of Dichromate and Ln3+-Post Synthetic Modification. Crystal Growth & Design, 2019. doi: 10.1021/acs.cgd.9b00657 IF 3.972 Read more... 

Tags: , ,

Published: 22 July 2019

Ruidan Ma, Xianmin Guo, Yingying Sun, Fengyuan Wang, Shaowen Sun, Ting Zhou, Shuang Liu, Huadong Guo, Eugeny V. Alexandrov Assembly of two novel self-catenated metal-organic frameworks from a tripodal N, O-donor ligand: syntheses, structures and properties. Inorganica Chimica Acta, 2019. doi: 10.1016/j.ica.2019.119032 IF 2.264 Read more... 

Tags: , ,

Published: 27 June 2019

20190724-01Xuanfeng Jiang, Xunzhe Cui, Andrew J. E. Duncan, Liang Li, Russell P. Hughes, Richard J. Staples, Eugeny V. Alexandrov, Davide M. Proserpio, Yuyang Wu, Chenfeng Ke Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society, 2019, 141 (27),10915–10923. doi: 10.1021/jacs.9b05232 IF 14.695 Read more... 

Tags: , ,

Published: 19 June 2019

20190702-05Y.-Q. Zhang, V. A. Blatov, X.-X. Lv, D.-Y. Tang, L.-L. Qian, K. Li and B.-L. Li Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis­[(1,2,4-triazol-4-yl)meth­yl]benzene and benzene-1,3,5-tri­carboxyl­ate ligands. Acta Crystallographica Section C, 2019, 75, 960-968. doi:10.1107/S205322961900826X IF 4.36 Read more... 

Tags: ,

Published: 3 June 2019

20190702-06Dong Fan, Andrey A. Golov, Artem A. Kabanov, Chengke Chen, Shaohua Lu, Xiao Li, Meiyan Jiang, Xiaojun Hu A New sp2-sp3-Hybridized Metallic Carbon Network for Lithium-ion Battery Anode with Enhanced Safety and Lithium-ion Diffusion Rate. The Journal of Physical Chemistry C, 2019, 123 (25),15412–15418. doi: 10.1021/acs.jpcc.9b02034 IF 4.484 Read more... 

Tags: , ,

Publications


9 August 2019
Report “Operando description and modeling of catalytic systems” 

On August 9,  2019 at 1:30 p.m. (Moscow time) Dr. Evgeny A. Pidko, Head of the Inorganic Systems Engineering group at the Chemical Engineering Department of Delft University of Technology (Netherlands) and Head of the “TheoMAT” group of theoretical chemistry at ITMO University (St. Petersburg), gave the report “Operando description and modeling of catalytic systems” in the conference hall of SCTMS (1, Ak. Pavlov St.).




31 May 2019
Lecture “Properties of metal-organic coordination polymers important for applications” 

On May 31, 2019 at 1 p.m. (Moscow time) within the public lecture course Eugeny Alexandrov gave the lecture “Properties of metal-organic coordination polymers important for applications” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




15 May 2019
Lecture “Machine learning approaches for solving problems in theoretical materials science” 

On May 15, 2019 at 1 p.m. (Moscow time) within the public lecture course Roman Eremin gave the lecture “Machine learning approaches for solving problems in theoretical materials science” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




23 April 2019
Lecture “Basics of statistical analysis methods” 

On April 26, 2019 at 1 p.m. (Moscow time) within the public lecture course Nadezhda Nekrasova gave the lecture “Basics of statistical analysis methods” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




12 April 2019
Lecture “Fundamentals of physics and chemistry of solid electrolytes” 

On April 12, 2019 at 1 p.m. (Moscow time) within the public lecture course Elizaveta Morkhovа gave the lecture “Fundamentals of physics and chemistry of solid electrolytes” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




Archive


20190812-01
12 August 2019
Report by Dr. Evgeny A. Pidko “Operando description and modeling of catalytic systems” 

On August 9  2019, at SCTMS Dr. Evgeny A. Pidko gave the report “Operando description and modeling of catalytic systems”. He shared the practical problems of experimental and theoretical studies of catalysis.

Tags: ,

20190807-01
6 August 2019
The CIF format extension developed at the SCTMS  is published on the IUCr official website 

Information on the topology and topological properties of crystalline structures can now be stored in the CIF-format (Crystallographic Information File). The release of a special dictionary describing the topology took place on July 17 on the website of the International Union of Crystallographers.

Tags: , ,

20190717-01
17 July 2019
Natalia Kabanova took part in the International Сonference on Сrystal chemistry, Х-ray and Spectroscopy of Minerals 

Natalya Kabanova, leading engineer at the SCTMS, returned from the XIX International Сonference on Сrystal chemistry, Х-ray and Spectroscopy of Minerals (July 2–6, Apatity, Murmansk region).

Tags:

20190710-01
10 July 2019
Albina Gurskaya returned from RASPA-workshop 

Albina Gurskaya, a senior research scientist of Samara Center for Theoretical Materials Science took part in the RASPA School/Workshop that was held on July 1–4, 2019 in Wrocław (Poland).

Tags:

20190707-01
7 July 2019
Employees of SCTMS took part in VASP training school (Rennes, France) 

Albina Gurskaya and Mikhail Frolov took part in the International scientific school on quantum mechanical modeling, which was held from 26 to 29 June 2019 in Rennes (France).

Tags:




All news



The University of Milan      Arizona State University      TU Bergakademie Freiberg      Northwestern Polytechnical University      The University of Genoa      Московский государственный университет      Московский физико-технический институт      Институт химии силикатов РАН      ФНИЦ Кристаллография и фотоника РАН      ИНЭОС РАН      Институт физики металлов УрО РАН

Южно-Уральский государственный университет      Южный федеральный университет            Università di Padova      University of Sussex      Fujian Agriculture and Forestry University