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Syed Awais Rouf
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Magnetic couplings in the chemical shift of paramagnetic NMR
J Vaara, SA Rouf, J Mares
Journal of chemical theory and computation 11 (10), 4840-4849, 2015
992015
1H Chemical Shifts in Paramagnetic Co(II) Pyrazolylborate Complexes: A First-Principles Study
SA Rouf, J Mares, J Vaara
Journal of chemical theory and computation 11 (4), 1683-1691, 2015
702015
First-principles study of lead-free double perovskites Ga2PdX6 (X= Cl, Br, and I) for solar cells and renewable energy
T Zelai, SA Rouf, Q Mahmood, S Bouzgarrou, MA Amin, AI Aljameel, ...
Journal of Materials Research and Technology 16, 631-639, 2022
462022
The study optical, thermoelectric, and thermodynamic properties of double perovskites K2CuBiX6 (X= Cl, Br, I) for energy harvesting
H Albalawi, SA Rouf, T Zelai, NA Kattan, S Bouzgarrou, Q Mahmood, ...
Materials Science and Engineering: B 298, 116851, 2023
442023
New lead-free double perovskites (Rb2GeCl/Br) 6; a promising materials for renewable energy applications
AA AlObaid, SA Rouf, TI Al-Muhimeed, AI Aljameel, S Bouzgarrou, ...
Materials Chemistry and Physics 271, 124876, 2021
402021
First-principles calculations to investigate mechanical, thermoelectric and optical performance of inorganic double perovskites Rb2AgAlZ6 (Z= Br, I) for energy harvesting
A Mera, T Zelai, SA Rouf, NA Kattan, Q Mahmood
Journal of Materials Research and Technology 24, 5588-5597, 2023
382023
Relativistic approximations to paramagnetic NMR chemical shift and shielding anisotropy in transition metal systems
SA Rouf, J Mares, J Vaara
Journal of Chemical Theory and Computation 13 (8), 3731-3745, 2017
332017
Tuning of band gap by anion variation of double perovskites K2AgInX6 (X= Cl, Br) for solar cells and thermoelectric applications
NA Kattan, SA Rouf, N Sfina, M mana Al-Anazy, H Ullah, A Hakamy, ...
Journal of Solid State Chemistry 319, 123820, 2023
252023
Tuning of band gap by anion variation of Ga2TiX6 (X= Cl, Br, I) for solar cells and renewable energy
TI Al-Muhimeed, J Alzahrani, SA Rouf, S Al-Qaisi, R Anbarasan, ...
Physica Scripta 97 (8), 085815, 2022
252022
Back contact buffer layer of WO3 nanosheets in thin-film CdTe solar cell
HT Masood, S Anwer, SA Rouf, A Nawaz, T Javed, T Munir, L Zheng, ...
Journal of Alloys and Compounds 887, 161367, 2021
222021
Assignment of solid-state 13C and 1H NMR spectra of paramagnetic Ni (II) acetylacetonate complexes aided by first-principles computations
SA Rouf, VB Jakobsen, J Mareš, ND Jensen, CJ McKenzie, J Vaara, ...
Solid State Nuclear Magnetic Resonance 87, 29-37, 2017
222017
A density functional theory study of the structural, electronic, and optical properties of XGaO3 (X  =  V, Nb) perovskites for optoelectronic applications
SA Rouf, MI Hussain, U Mumtaz, AM Majeed, HT Masood
Journal of Computational Electronics 20 (4), 1484-1495, 2021
192021
Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X= Cl, Br, I) for solar cells and transport applications
A Mera, A Almeshal, SA Rouf, T Zelai, AI Aljameel, O Hakami, ...
Chemical Physics Letters 829, 140754, 2023
132023
Hydrothermal synthesis, characterization and photocatalytic activity of Mg doped MoS2
MI Khan, M Touheed, M Sajjad-ul-Hasan, M Siddique, SA Rouf, T Ahmad, ...
Zeitschrift für Physikalische Chemie 236 (2), 155-168, 2022
112022
First-principle study of electronic, optical and transport properties for (Zn/Cd)Sc2Se4 spinel chalcogenides
H Althib, TH Flemban, AI Aljameel, A Mera, MGB Ashiq, Q Mahmood, ...
Bulletin of Materials Science 44, 1-6, 2021
112021
Synthesis and purification of carbon nanotubes
SA Rouf, Z Usman, HT Masood, AM Majeed, M Sarwar, W Abbas
Carbon nanotubes-redefining the world of electronics, 2021
112021
Paramagnetic Enhancement of Nuclear Spin–Spin Coupling
PJ Cherry, SA Rouf, J Vaara
Journal of Chemical Theory and Computation 13 (3), 1275-1283, 2017
112017
Half-metallic ferromagnetism and thermoelectric effect in spinel chalcogenides SrX2S4 (X= Mn, Fe, Co) for spintronics and energy harvesting
SA Rouf, H Albalawi, T Zelai, O Hakami, NA Kattan, S Al-Qaisi, ...
Journal of Physics and Chemistry of Solids 182, 111601, 2023
92023
Study of inorganic double perovskites Cs2RbZI6 (Z = Ga, In) as energy harvesting aspirant: a DFT approach
A Mera, SA Rouf, T Zelai, NA Kattan, Q Mahmood
Optical and Quantum Electronics 55 (10), 918, 2023
92023
First Principle Analysis of Electronic, Optical and Thermoelectric Characteristics of XBiO3 (X = Al, Ga, In) Perovskites
Qasim Mahmood, Syed Awais Rouf, E Algrafy, G Murtaza, S M Ramay, A Mahmood
Opto-Electronics Review 28, 8-14, 2020
72020
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