Підписатись
Hasnain Sajid
Hasnain Sajid
Підтверджена електронна адреса в my.ntu.ac.uk
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Посилання
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Adsorption behaviour of chronic blistering agents on graphdiyne; excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses
S Khan, H Sajid, K Ayub, T Mahmood
Journal of Molecular Liquids 316, 113860, 2020
852020
Highly selective acridinium based cyanine dyes for the detection of DNA base pairs (adenine, cytosine, guanine and thymine)
H Sajid, K Ayub, M Arshad, T Mahmood
Computational and Theoretical Chemistry 1163, 112509, 2019
822019
High sensitivity of polypyrrole sensor for uric acid over urea, acetamide and sulfonamide: a density functional theory study
H Sajid, T Mahmood, K Ayub
Synthetic Metals 235, 49-60, 2018
772018
Cyclic versus straight chain oligofuran as sensor: A detailed DFT study
H Sajid, F Ullah, K Ayub, T Mahmood
Journal of Molecular Graphics and Modelling 97, 107569, 2020
742020
Exceptionally high NLO response and deep ultraviolet transparency of superalkali doped macrocyclic oligofuran rings
H Sajid, K Ayub, T Mahmood
New Journal of Chemistry 44 (6), 2609-2618, 2020
622020
High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study
H Sajid, S Khan, K Ayub, T Mahmood
Microporous and Mesoporous Materials 299, 110126, 2020
512020
High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles study
S Khan, H Sajid, K Ayub, T Mahmood
Journal of Molecular Graphics and Modelling 100, 107658, 2020
502020
A comprehensive DFT study on the sensing abilities of cyclic oligothiophenes (n CTs)
H Sajid, K Ayub, T Mahmood
New Journal of Chemistry 43 (35), 14120-14133, 2019
472019
An accurate comparative theoretical study of the interaction of furan, pyrrole, and thiophene with various gaseous analytes
H Sajid, T Mahmood, K Ayub
Journal of molecular modeling 23, 1-18, 2017
462017
Potential sensing of toxic chemical warfare agents (CWAs) by twisted nanographenes: a first principle approach
N Sattar, H Sajid, S Tabassum, K Ayub, T Mahmood, MA Gilani
Science of The Total Environment 824, 153858, 2022
422022
Comparative investigation of sensor application of polypyrrole for gaseous analytes
H Sajid, T Mahmood, MHR Mahmood, K Ayub
Journal of Physical Organic Chemistry 32 (8), e3960, 2019
422019
Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-] thiophene complexes; a DFT approach
H Sajid, F Ullah, S Khan, K Ayub, M Arshad, T Mahmood
RSC advances 11 (7), 4118-4128, 2021
402021
A first principles study on electrochemical sensing of highly toxic pesticides by using porous C4N nanoflake
M Asif, H Sajid, K Ayub, M Ans, T Mahmood
Journal of Physics and Chemistry of Solids 160, 110345, 2022
392022
Superhalogen doping: a new and effective approach to design materials with excellent static and dynamic NLO responses
H Sajid, F Ullah, M Yar, K Ayub, T Mahmood
New Journal of Chemistry 44 (38), 16358-16369, 2020
362020
DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases
H Sajid, SA Siddique, E Ahmed, M Arshad, MA Gilani, A Rauf, M Imran, ...
Computational and Theoretical Chemistry 1211, 113694, 2022
302022
Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations
SA Siddique, H Sajid, MA Gilani, E Ahmed, M Arshad, T Mahmood
Computational and Theoretical Chemistry 1209, 113606, 2022
302022
Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome
H Sajid, M Asif, K Ayub, MA Gilani, MS Akhter, T Mahmood
Surfaces and Interfaces 27, 101587, 2021
292021
Effective adsorption of A-series chemical warfare agents on graphdiyne nanoflake: a DFT study
H Sajid, S Khan, K Ayub, T Mahmood
Journal of Molecular Modeling 27, 1-12, 2021
282021
Sensing of toxic Lewisite (L1, L2, and L3) molecules by graphdiyne nanoflake using density functional theory calculations and quantum theory of atoms in …
S Khan, H Sajid, K Ayub, T Mahmood
Journal of Physical Organic Chemistry 34 (5), e4181, 2021
262021
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
H Sajid, K Ayub, T Mahmood
Surfaces and Interfaces 30, 101912, 2022
252022
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