Zobrazeno 1 - 5
of 5
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