Zobrazeno 1 - 10
of 60
pro vyhledávání: '"Rao Aqil Shehzad"'
Autor:
Nigarish Bano, Ijaz Ahmad Bhatti, Qurat ul-Ain, Muhammad Mohsin, Rao Aqil Shehzad, Javed Iqbal
Publikováno v:
Journal of Taibah University for Science, Vol 16, Iss 1, Pp 621-631 (2022)
In the current study, optical and nonlinear optical (NLO) properties of supersalt Al(BH4)3 doped boron nitride (BN) were studied by employing density functional theory (DFT) at the MPW1PW91/6-31 G (d,p) level of theory. HOMO–LUMO energy gap of 7.48
Externí odkaz:
https://doaj.org/article/1fdda9bda380426bb5e2252ce5d3ee15
Publikováno v:
Russian Journal of Physical Chemistry A. 96:1817-1827
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fbdee81c7828a425331c752fb666bf89
https://doi.org/10.1134/s0036024422080234
https://doi.org/10.1134/s0036024422080234
Autor:
Ali Raza Ayub, Umer Yaqoob, Sidra Rafiq, Rao Aqil Shehzad, Khurshid Ayub, Javed Iqbal, Hui Li, K. H. Mahmoud, Khaled A. Elsayed
Publikováno v:
Journal of Inorganic and Organometallic Polymers and Materials. 32:3738-3764
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3088b1d9de2348d64f563a50b5f318d4
https://doi.org/10.1007/s10904-022-02371-4
https://doi.org/10.1007/s10904-022-02371-4
Autor:
Rao Aqil Shehzad, Khurshid Ayub, M.S. Al-Buriahi, Nada Alfryyan, H.H. Somaily, Sultan Alomairy, Javed Iqbal
Publikováno v:
Solar Energy. 237:96-107
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c1ab10860c2e627f6057e0b793904e72
https://doi.org/10.1016/j.solener.2022.03.071
https://doi.org/10.1016/j.solener.2022.03.071
Autor:
Amina Rafique, Hadia Maqbool, Rao Aqil Shehzad, Ijaz Ahmad Bhatti, Khurshid Ayub, Abraham Elmushyakhi, Ahmed M. Shawky, Javed Iqbal
Publikováno v:
International Journal of Quantum Chemistry. 123
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::107de84c9ee200d80f2a573523fbe68b
https://doi.org/10.1002/qua.27060
https://doi.org/10.1002/qua.27060
Publikováno v:
Materials Science in Semiconductor Processing. 163:107558
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c0070a4d880ffdcc47d760a872e4ffad
https://doi.org/10.1016/j.mssp.2023.107558
https://doi.org/10.1016/j.mssp.2023.107558
Autor:
Zubera Naseem, Rao Aqil Shehzad, Sobia Jabeen, Suman Tahir, Farwa Mushtaq, Muhammad Zahid, Javed Iqbal
Publikováno v:
Chemical Physics. 571:111936
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0edaf2ef51f6d57decfa70a8090745da
https://doi.org/10.1016/j.chemphys.2023.111936
https://doi.org/10.1016/j.chemphys.2023.111936
Publikováno v:
Journal of Molecular Graphics and Modelling. 121:108432
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0c208422c8bc1c0b86696a45b90558bd
https://doi.org/10.1016/j.jmgm.2023.108432
https://doi.org/10.1016/j.jmgm.2023.108432
Autor:
Javed Iqbal, Saleem Iqbal, Naveed Anjum, Khurshid Ayub, Rao Aqil Shehzad, Rasheed Ahmad Khera, Asmat Ullah Khan
Publikováno v:
RSC Advances. 11:7779-7789
DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl4) and superalkali (NLi4) doped graphitic carbon nitride (GCN). It is noted that the geometries of doped GCN are sufficiently stable. The energy ga
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e89c481357bf8feae651b10afae58d54
https://doi.org/10.1039/d0ra08608h
https://doi.org/10.1039/d0ra08608h