Published: 7 May 2018

130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen MurdockCharlotte Bonneau, Michael O'Keeffe, Davide M. Proserpio, Vladislav A. Blatov, Stuart R. Batten, Susan A. Bourne, Myoung Soo Lah, Jean-Guillaume Eon, Stephen T Hyde, Seth B. Wiggin, and Lars Ohrstrom Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases. Crystal Growth & Design, 2018, 18 (6), 3411–3418. doi: 10.1021/acs.cgd.8b00126 Read more... 



Published: 1 May 2018

Hao Wang, Xinglong Dong, Junzhong Lin, Simon J. Teat , Stephanie Jensen, Jeremy Cure, Eugeny V. Alexandrov, Qibin Xia, Kui Tan, Qining Wang, David H. Olson, Davide M. Proserpio , Yves J. Chabal, Timo Thonhauser, Junliang Sun, Yu Han & Jing Li Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. Nature Communications, 2018, 9, 1745. doi: 10.1038/s41467-018-04152-5 Read more... 



Published: 7 April 2018

20180529-01Tian-Rui Zheng, Vladislav A. Blatov, Lin-Lu Qian, Ding-Yi Tang, Ya-Qian Zhang, Zhi-Xiang Wang, Bao-Long Li, Bin Wu An unusual (4,6)-coordinated copper(II) coordination polymer: High efficient degradation of organic dyes under visible light irradiation and electrochemical properties. Polyhedron, 2018, 148, 81-87. doi:10.1016/j.poly.2018.03.032 Read more... 



Published: 4 April 2018

20180502-01Ya-Qian Zhang, Vladislav A. Blatov, Tian-Rui Zheng, Chang-Hao Yang, Lin-Lu Qian, Ke Li, Bao-Long Li and Bing Wu A luminescent zinc(II) coordination polymer with unusual (3,4,4)-coordinated self-catenated 3D network for selective detection of nitroaromatics and ferric and chromate ions: a versatile luminescent sensor. Dalton Transactions, 2018, 47, 6189-6198. doi:10.1039/C7DT04682K Read more... 



Published: 4 April 2018

no spine minimum. half size. Editor: Tara  JEM: Esther
RTP: Cathy FisherEkaterina D. Kuznetsova, Olga A. Blatova and Vladislav A. Blatov Predicting new zeolites: a combination of thermodynamic and kinetic factors. Chemistry of Materials, 2018, 30 (8), 2829–2837. doi: 10.1021/acs.chemmater.8b00905 Read more... 



Publications


25 May 2018
Reports at the session “Big data for materials design” 

On May 25, 2018 in the Scientific council hall of Dmitry Mendeleev University of Chemical Technology Eugeny Alexandrov and Artem Kabanov reported at the section “Big data for materials’ design” of the session “Chemical technology and new materials for military-industrial complex of Russia”.




10 May 2018
Report “Coordination polymers built by linear building blocks” 

On May 10, 2018 at 2 p.m. Emanuele Priola presented the report “Coordination polymers built by linear building blocks” in the conference hall of SCTMS (1, Ak. Pavlov St.).




19 April 2018
Lecture “Big data analysis and new materials design” 

On April 19, 2018 at 9 a.m., Eugeny Aleksandrov and Aleksandr Shevchenko gave the lecture “Big data analysis and new materials design” within the Science Craft School.




14 December 2017
Webinar “New and undocumented features of ToposPro-TORIS” 

On Deсember 14, 2017 at 10:00 UTC (13:00 Moscow time) SCTMS conducted the webinar “New and undocumented features of ToposPro-TORIS”.




5 December 2017
Webinar “New and old ToposPro features, which probably you do not know III” 

On Deсember 5, 2017 at 10:00 UTC (13:00 Moscow time) SCTMS conducted the webinar "New and old ToposPro features, which probably you do not know III".




Archive


20180615-01
18 June 2018
Artem Kabanov took part in the 52nd International School in Erice, Italy 

Artem Kabanov, a senior research scientist of Samara Center for Theoretical Materials Science came back from the 52nd International School in Quantum Crystallography that was held in Erice (Italy) on June 1-10, 2018. Quantum crystallography is a field of science employing methods for obtaining crystallographic information and quantum mechanical theory.

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20180612-01
14 June 2018
SCTMS scientists took part in the IX National Crystal Chemistry Conference 

Seven delegates of Samara Center for Theoretical Materials Science took part in the IX National Crystal Chemistry Conference, 2018 that was held in Suzdal on June 4-8, 2018. The conference program included five oral reports of SCTMS scientists. Prof. Vladislav Blatov was a member of the program committee and a session moderator.

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20180608-01
9 June 2018
International Union of Crystallography accepted CIF format extension elaborated by SCTMS 

Crystallographic Information File (CIF) is a standard text file format for representing crystallographic information, promulgated by the International Union of Crystallography (IUCr). CIF stores diverse information (primarily experimental data) about crystal structures.

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20180601-03
1 June 2018
Tatiana Akhmetshina and the research group of Dr. Pavlo Solokha synthesized a new intermetallic structure 

Tatiana Akhmetshina, a research assistant of SCTMS, was on long-term mission (From April 16 till My 11) at the University of Genoa (Italy) where she performed synthesis of intermetallides.

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20180530-01
1 June 2018
Results of the second visit of Prof. Blatov to ICDD 

On May 15-29, 2018, Prof. Vladislav Blatov was on mission at the International Centre for Diffraction Data (ICDD) in Newtown, Philadelphia, USA.

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20180528-01
29 May 2018
Eugeny Alexandrov and Artem Kabanov made reports at expert session at Dmitry Mendeleev University of Chemical Technology 

Eugeny Alexandrov and Artem Kabanov came back from Moscow where they took part in the session “Chemical technology and new materials for military-industrial complex of Russia” held by Dmitry Mendeleev University of Chemical Technology on May 25, 2018.

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