Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Anton V. Domnin"'
Publikováno v:
Nanomaterials, Vol 13, Iss 19, p 2699 (2023)
In this study, the influence of torsional deformations on the properties of chiral WS2-based nanotubes was investigated. All calculations presented in this study were performed using the density functional theory (DFT) and atomic gaussian type orbita
Externí odkaz:
https://doaj.org/article/d9d5dbb2d39e4419af10448f812355a7
Publikováno v:
Computational Materials Science. 214:111704
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::18406af0d6a9942bdbd877148aa663be
https://doi.org/10.1016/j.commatsci.2022.111704
https://doi.org/10.1016/j.commatsci.2022.111704
Publikováno v:
Journal of Computational Chemistry. 41:759-768
Comparative hybrid density functional calculations on the structure, stability, and phonon frequencies of monolayers and single-walled nanotubes are performed for Zr(Hf)S2 disulfides. The first-principles calculations of HfS2 -based nanotubes are mad
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::847c15a4a9fefdabb0e90874dababd5a
https://doi.org/10.1002/jcc.26124
https://doi.org/10.1002/jcc.26124
Autor:
Yuri B. Porozov, Anton V. Domnin, Eugene Stepanov, Anastasya A. Anashkina, Gaik Tamazian, Daria S. Ostroverkhova, Yaroslav V. Solovev, Irina Yu. Petrushanko
Publikováno v:
Bioinformatics Research and Applications ISBN: 9783030578206
ISBRA
ISBRA
Na,K-ATPase is a redox-sensitive transmembrane protein. Understanding the mechanisms of Na,K-ATPase redox regulation can help to prevent impairment of Na,K-ATPase functioning under pathological conditions and reduce damage and death of cells. One of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce30fbb3c5a187316028a318afb51a68
https://doi.org/10.1007/978-3-030-57821-3_36
https://doi.org/10.1007/978-3-030-57821-3_36
Publikováno v:
Journal of computational chemistry. 41(8)
Comparative hybrid density functional calculations on the structure, stability, and phonon frequencies of monolayers and single-walled nanotubes are performed for Zr(Hf)S
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::bbddada402bfcde41a329a03a308c359
https://pubmed.ncbi.nlm.nih.gov/31828832
https://pubmed.ncbi.nlm.nih.gov/31828832
Publikováno v:
Nanomaterials (2079-4991); Oct2023, Vol. 13 Issue 19, p2699, 13p
Publikováno v:
Journal of Computational Chemistry; 3/30/2020, Vol. 41 Issue 8, p759-768, 10p
This book constitutes the proceedings of the 16th International Symposium on Bioinformatics Research and Applications, ISBRA 2020, held in Moscow, Russia, in December 2020. The 23 full papers and 18 short papers presented in this book were carefully