Artículos con órdenes de acceso público - Khurshid AyubMás información
No disponibles en ningún lugar: 10
Design of liquid crystals with “de Vries-like” properties: frustration between SmA-and SmC-promoting elements
JC Roberts, N Kapernaum, Q Song, D Nonnenmacher, K Ayub, ...
Journal of the American Chemical Society 132 (1), 364-370, 2010
Órdenes: German Research Foundation
Remarkable nonlinear optical response of alkali metal doped aluminum phosphide and boron phosphide nanoclusters
S Munsif, S Khan, A Ali, MA Gilani, J Iqbal, R Ludwig, K Ayub
Journal of Molecular Liquids 271, 51-64, 2018
Órdenes: German Research Foundation
Efficient Cu Decorated Inorganic B12P12 Nanoclusters for Sensing Toxic COCl2 Gas: A Detailed DFT Study
F Younas, MY Mehboob, K Ayub, R Hussain, A Umar, MU Khan, Z Irshad, ...
Journal of Computational Biophysics and Chemistry 20 (01), 85-97, 2021
Órdenes: Netherlands Organisation for Scientific Research
Nonlinear optical, IR and orbital properties of Ni doped MgO nanoclusters: A DFT investigation
AS Rad, K Ayub
Computational and Theoretical Chemistry 1138, 39-47, 2018
Órdenes: National Natural Science Foundation of China
Inorganic electrides of alkali metal doped Zn12O12 nanocage with excellent nonlinear optical response
S Khan, MA Gilani, S Munsif, S Muhammad, R Ludwig, K Ayub
Journal of Molecular Graphics and Modelling 106, 107935, 2021
Órdenes: Leibniz Association
Synthesis, X-ray crystal structure and spin polarized DFT study of high spin Mn based metal-organic framework
S Abbas, K Ayub, M Sohail, S Ali, R Ludwig, MA Nadeem, S Muhammad
Journal of Molecular Structure 1175, 439-444, 2019
Órdenes: German Research Foundation
Synthesis, spectral characterization and fluorescent assessment of 1, 3, 5-Triaryl-2-pyrazoline derivatives: experimental and theoretical studies
MM Ibrahim, M Al-Refai, K Ayub, BF Ali
Journal of fluorescence 26, 1447-1455, 2016
Órdenes: German Research Foundation
Theoretical insight into structural and electronic properties of cationic Scn+ (n= 2-13): A benchmark study
S Sajjad, T Mahmood, R Ludwig, K Ayub
Solid State Sciences 86, 60-68, 2018
Órdenes: German Research Foundation
Mechanochemical Synthesis of Trifluoromethyl Arenes: Nanocellulose-Supported Deaminative Trifluoromethylation of Aromatic Amines
S Mkrtchyan, VB Purohit, O Shalimov, J Zapletal, S Sarfaraz, K Ayub, ...
ACS Sustainable Chemistry & Engineering, 2024
Órdenes: Knut and Alice Wallenberg Foundation
Internal B← O Bond Facilitated Photo/Thermal Isomerization of Tetra-Coordinated Boranes
QD Zhou, GF Hu, S Sarfaraz, K Ayub, B Xiao, K Liu, X Yin, N Wang
Inorganic Chemistry 62 (18), 7061-7068, 2023
Órdenes: National Natural Science Foundation of China
Disponibles en algún lugar: 12
Silver clusters tune up electronic properties of graphene nanoflakes: A comprehensive theoretical study
T Jadoon, K Carter-Fenk, MBA Siddique, JM Herbert, R Hussain, S Iqbal, ...
Journal of Molecular Liquids 297, 111902, 2020
Órdenes: US Department of Energy, US National Institutes of Health
Design of liquid crystals with ‘de Vries-like’properties: carbosilane-terminated 5-phenylpyrimidine mesogens suitable for chevron-free FLC formulations
CPJ Schubert, A Bogner, JH Porada, K Ayub, T Andrea, F Giesselmann, ...
Journal of Materials Chemistry C 2 (23), 4581-4589, 2014
Órdenes: German Research Foundation
Computational investigation of a covalent triazine framework (CTF-0) as an efficient electrochemical sensor
S Sarfaraz, M Yar, M Ans, MA Gilani, R Ludwig, MA Hashmi, M Hussain, ...
RSC advances 12 (7), 3909-3923, 2022
Órdenes: German Research Foundation
Dissecting metabolic puzzles through isotope feeding: a novel amino acid in the biosynthetic pathway of the cruciferous phytoalexins rapalexin A and isocyalexin A
MSC Pedras, EE Yaya
Organic & Biomolecular Chemistry 11 (7), 1149-1166, 2013
Órdenes: US National Institutes of Health, Australian Research Council, National …
Interaction of graphene quantum dots with oligothiophene: A comprehensive theoretical study
A Ashraf, K Carter-Fenk, JM Herbert, BA Farooqi, U Farooq, K Ayub
The Journal of Physical Chemistry C 123 (49), 29556-29570, 2019
Órdenes: US Department of Energy
Mechanochemical Transformation of CF3 Group: Synthesis of Amides and Schiff Bases
S Mkrtchyan, M Jakubczyk, S Lanka, M Yar, K Ayub, M Shkoor, ...
Advanced Synthesis & Catalysis 363 (24), 5448-5460, 2021
Órdenes: Danish Council for Independent Research, European Commission, Narodowe …
Mechanochemical Defluorinative Acylation of ortho‐Hydroxyarylenaminones by CF3‐Compounds: Synthesis of 3‐Acylchromones
S Mkrtchyan, VB Purohit, S Khutsishvili, J Nociarová, M Yar, T Mahmood, ...
Advanced Synthesis & Catalysis 365 (12), 2026-2035, 2023
Órdenes: Knut and Alice Wallenberg Foundation
Metal-free supramolecular reduction of nitro compounds into the cucurbit [7] uril cavity: testing the enabling technique in aqueous media
S Mkrtchyan, VB Purohit, S Sarfaraz, M Yar, K Ayub, VO Iaroshenko
ACS Sustainable Chemistry & Engineering 11 (23), 8406-8412, 2023
Órdenes: Knut and Alice Wallenberg Foundation
Theoretical approach to evaluate the gas-sensing performance of graphene nanoribbon/oligothiophene composites
A Ashraf, JM Herbert, S Muhammad, BA Farooqi, U Farooq, M Salman, ...
ACS omega 7 (2), 2260-2274, 2022
Órdenes: US Department of Energy
Synthesis and DPPH scavenging assay of reserpine analogues, computational studies and in silico docking studies in AChE and BChE responsible for …
M Yar, M Arshad, A Farooq, MA Gilani, K Ayub, A Ejaz, A Kumar, ...
Brazilian Journal of Pharmaceutical Sciences 51 (1), 53-61, 2015
Órdenes: US National Institutes of Health
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