Molecular dynamics study of structural properties of γ-aminobutyric acid (GABA)

Autor: Shyam P Khanal, Rajendra P Koirala, Esha Mishra, Narayan Prasad Adhikari

Publikováno v: Bibechana, Vol 18, Iss 1 (2021)

The study of the structural conformation of Gamma-aminobutyric acid (GABA) exhibits its biological and chemical activities. The GABA molecule is responsible for neurotransmission from one neuron to another neuron and activates the ion channels to pas

Externí odkaz: https://doaj.org/article/1d1e20f85e414e61900101858161e3d6

Very close I⋯As and I⋯Sb interactions in trimethylpnictogen-pentafluoroiodobenzene cocrystals

Autor: Hans-Georg Stammler, Maciej Bujak, Yury V. Vishnevskiy, Norbert W. Mitzel

Publikováno v: CrystEngComm. 24:70-76

The cocrystals (CH3)3As·C6F5I (1) and (CH3)3Sb·C6F5I (2) were generated in situ from equimolar mixtures of their components. 1 and 2 show very close I⋯As and I⋯Sb directional intermolecular interactions. They are 0.5 and 0.7 Å shorter than the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f03bf1369813000330d119b02db60a0
https://doi.org/10.1039/d1ce01268a

Carbon nanotube-dependent synthesis of armchair graphene nanoribbons

Autor: Lei Shi, Takeshi Saito, Guowei Yang, Thomas Pichler, Kecheng Cao, Hans Kuzmany, Zhang Yifan, Ute Kaiser, Hiromichi Kataura

Publikováno v: Nano Research. 15:1709-1714

Sub-nanometer armchair graphene nanoribbons (GNRs) with moderate band gap have great potential towards novel nanodevices. GNRs can be synthesized in the confined tubular space of single-walled carbon nanotubes (SWCNTs), in which precursor molecules h

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cbab92882b74bfc2308cbb1a2f2038b1
https://doi.org/10.1007/s12274-021-3819-8

Kako definirati veličinu atoma

Autor: Nenad Raos

Publikováno v: Kemija u Industriji, Vol 70, Iss 9-10, Pp 581-587 (2021)
Kemija u industriji : Časopis kemičara i kemijskih inženjera Hrvatske
Volume 70
Issue 9-10

Iako se u školi uče iznosi ionskih, van der Waalsovih i kovalentnih radijusa, ne uči se što oni zapravo jesu – školske definicije prikrivaju njihovu pravu, kvantnomehaničku prirodu. U radu je ispitano značenje definicija veličine atoma te o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67d0abc3514b15b2c4b0f680e4ec7404
http://silverstripe.fkit.hr/kui/assets/Uploads/10-581-587-KUI-9-10-2021.pdf

Effect of Alloying Elements on the Stacking Fault Energy and Ductility in Mg2Si Intermetallic Compounds

Autor: Ping Qian, Haiyou Huang, Yu Yan, Keke Song, Yanjing Su, Xinpeng Zhao

Publikováno v: ACS Omega, Vol 6, Iss 31, Pp 20254-20263 (2021)

Alloying elements can pronouncedly change the mechanical properties of intermetallic compounds. However, the effect mechanism of this in Mg2Si alloys is not clear yet. In this paper, systematic first-principles calculations were performed to investig

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c602e1b6ff7a622da4b926efb8aedcf4
https://doaj.org/article/ae596fcd38d44d8680ce2bf93edfb990