Zobrazeno 1 - 10
of 77
pro vyhledávání: '"Ehsan Shakerzadeh"'
Autor:
Nagendra Prasad Yadav, Tarun Yadav, Sangram Pattanaik, Ehsan Shakerzadeh, Subhendu Chakroborty, Cai Xiaofeng, Anil Kumar Vishwkarma, Amit Pathak, Jitendra Malviya, Fanindra Pati Pandey
Publikováno v:
ACS Omega, Vol 9, Iss 3, Pp 3373-3383 (2024)
Externí odkaz:
https://doaj.org/article/7e8b11fcdd354c1387d7bbc5389228fc
Autor:
ehsan shakerzadeh
Publikováno v:
شیمی کاربردی روز, Vol 13, Iss 47, Pp 187-196 (2018)
In this research, the nonlinear optical and electronic properties of trigonal carbon-boron-nitride nano flake (C40B3N3H18) are investigated through density functional theory (DFT) calculations. Recently, synthesis and studying properties of hybrid ca
Externí odkaz:
https://doaj.org/article/cf2618be1c584c209899ba0b672ae082
Publikováno v:
Characteristics and Applications of Boron ISBN: 9781803564647
Characteristics and Applications of Boron
Characteristics and Applications of Boron
In this chapter, we presented an analysis of the recent advances in the applications of boron clusters in biomedical fields such as the development of biosensors and drug delivery systems on the basis of quantum chemical calculations. Biosensors play
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a0489e28c96dc7dc6884885611e0572c
https://doi.org/10.5772/intechopen.106215
https://doi.org/10.5772/intechopen.106215
Autor:
Martin Salazar Villanueva, Alejandro Bautista Hernandez, Ehsan Shakerzadeh, Ernesto Chigo Anota
Publikováno v:
Physica E: Low-dimensional Systems and Nanostructures. 152:115758
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e5d4e5737a2fd2c3c1479ef74ed91f62
https://doi.org/10.1016/j.physe.2023.115758
https://doi.org/10.1016/j.physe.2023.115758
Publikováno v:
Journal of molecular graphicsmodelling. 118
First-principles calculations based on density functional theory were utilized to evaluate whether an iron atom decorated B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::fba132ebfd19d8506541f4333944ac10
https://pubmed.ncbi.nlm.nih.gov/36401898
https://pubmed.ncbi.nlm.nih.gov/36401898
Publikováno v:
Polyhedron. 232:116295
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dda813f51842fd6c8c80192b5d4b4aeb
https://doi.org/10.1016/j.poly.2023.116295
https://doi.org/10.1016/j.poly.2023.116295
Publikováno v:
Applied Organometallic Chemistry. 36
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40a5d6bde221ad3d72bcb753d785e3c5
https://doi.org/10.1002/aoc.6721
https://doi.org/10.1002/aoc.6721
Publikováno v:
Physical Chemistry Chemical Physics. 22:15013-15021
Systematic density functional theory (DFT) calculations using the TPSSh functional and the def2-TZVP basis set were carried out to identify the global energy minimum structure of the Li2FeB14 cluster. Keeping the double ring tubular shape of FeB14, c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::180b011f7b49b4cfb5732eafc809de8f
https://doi.org/10.1039/d0cp02046j
https://doi.org/10.1039/d0cp02046j
Publikováno v:
Inorganic Chemistry Communications. 148:110326
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0047548c1c007ab326026a39cd8743fc
https://doi.org/10.1016/j.inoche.2022.110326
https://doi.org/10.1016/j.inoche.2022.110326
Publikováno v:
Journal of Molecular Graphics and Modelling. 118:108369
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac0f5a07959852f2295e9653549be081
https://doi.org/10.1016/j.jmgm.2022.108369
https://doi.org/10.1016/j.jmgm.2022.108369