Synthesis and Assessment of Two Malonyl Dihydrazide Derivatives as Corrosion Inhibitors for Carbon Steel in Acidic Media: Experimental and Theoretical Studies
Alarfaji, Saleh S., Ali, Ismat H., Bani-Fwaz, Mutasem Z., Bedair, Mahmoud A.
Published in Molecules (Basel, Switzerland) (26.05.2021)
Published in Molecules (Basel, Switzerland) (26.05.2021)
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Journal Article
Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives
Ashfaq, Muhammad, Tahir, Muhammad Nawaz, Muhammad, Shabbir, Munawar, Khurram Shahzad, Ali, Akbar, Bogdanov, Georgii, Alarfaji, Saleh S
Published in ACS omega (23.11.2021)
Published in ACS omega (23.11.2021)
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Journal Article
Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component
Ashfaq, Muhammad, Munawar, Khurram Shahzad, Tahir, Muhammad Nawaz, Dege, Necmi, Yaman, Mavise, Muhammad, Shabbir, Alarfaji, Saleh S, Kargar, Hadi, Arshad, Muhammad Umar
Published in ACS omega (31.08.2021)
Published in ACS omega (31.08.2021)
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Journal Article
A computational study for optical and nonlinear optical properties of distinctive V-shaped cyclopenta dithiophene derivatives
Muhammad, Shabbir, Sarwar, Fatima, Alarfaji, Saleh S., Al-Sehemi, Abdullah G., Adnan, Muhammad, Kumar, Santosh, Chaudhry, Aijaz Rasool
Published in Optical and quantum electronics (01.10.2023)
Published in Optical and quantum electronics (01.10.2023)
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Journal Article
Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives
Ashfaq, Muhammad, Tahir, Muhammad Nawaz, Muhammad, Shabbir, Munawar, Khurram Shahzad, Ali, Saqib, Ahmed, Gulzar, Al-Sehemi, Abdullah G, Alarfaji, Saleh S, Ibraheem Khan, Muhammad Ehtisham
Published in ACS omega (15.02.2022)
Published in ACS omega (15.02.2022)
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Journal Article
Recent trends in wastewater treatment by using metal-organic frameworks (MOFs) and their composites: A critical view-point
Shah, Syed Shoaib Ahmad, Sohail, Manzar, Murtza, Ghulam, Waseem, Amir, Rehman, Aziz ur, Hussain, Iftikhar, Bashir, Muhammad Sohail, Alarfaji, Saleh S., Hassan, Ahmed M., Nazir, Muhammad Altaf, Javed, Muhammad Sufyan, Najam, Tayyaba
Published in Chemosphere (Oxford) (01.02.2024)
Published in Chemosphere (Oxford) (01.02.2024)
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Journal Article
Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S 1 ← S 0 Transitions
Robinson, David, Alarfaji, Saleh S, Hirst, Jonathan D
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.06.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.06.2021)
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Journal Article
Exploring the structural, electronic, optical, and thermoelectric properties of potassium-based double perovskites K2AgXI6 (X = Sb, Bi) compounds: A DFT study
Manzoor, Mumtaz, Waqas Iqbal, Muhammad, Noor, Naveed Ahmad, Ullah, Hamid, Sharma, Ramesh, Alarfaji, Saleh S.
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01.01.2023)
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01.01.2023)
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Journal Article
Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S1 ← S0 Transitions
Robinson, David, Alarfaji, Saleh S, Hirst, Jonathan D
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.06.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.06.2021)
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Journal Article
First-principles calculations to investigate structural, dynamical, thermodynamic and thermoelectric properties of CdYF3 perovskite
Manzoor, Mumtaz, Behera, Debidatta, Chowdhury, Suman, Sharma, Ramesh, Waqas Iqbal, Muhammad, Mukherjee, S.K., Alarfaji, Saleh S, Alzahrani, Huda A.
Published in Computational and theoretical chemistry (01.11.2022)
Published in Computational and theoretical chemistry (01.11.2022)
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Journal Article
Investigating the dilute magnetic semiconductor behavior of 4d transition metal adsorption on B4C3
Khalid, Swera, Umer, Iqra, Ahmad Buzdar, Saeed, Majid, Abdul, ul Hassan, Najam, Alarfaji, Saleh S, Isa Khan, Muhammad
Published in Journal of magnetism and magnetic materials (15.05.2024)
Published in Journal of magnetism and magnetic materials (15.05.2024)
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Journal Article
Adsorption behavior of different cresols on bismuthene: a DFT study
Iqrar, Ukkasha, Masood, Usman, Alarfaji, Saleh S, Iqbal, Tahir, Majid, Abdul, Isa Khan, Muhammad
Published in RSC advances (11.06.2024)
Published in RSC advances (11.06.2024)
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Journal Article
Adsorption of industry affiliated gases on buckled aluminene for gas sensing applications
Khan, Muhammad Isa, Ashfaq, Momina, Majid, Abdul, Noor, Laraib, Alarfaji, Saleh S
Published in Journal of molecular modeling (01.08.2023)
Published in Journal of molecular modeling (01.08.2023)
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Journal Article
Theoretical design of alkaline earthides M+(36 adz) Be− (M+ = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) with excellent nonlinear optical response and ultraviolet transparency
Hussain, Jabir, Hussain, Riaz, Hussain, Ajaz, Yawer, Mirza Arfan, Arshad, Muhammad, Alarfaji, Saleh S., Rauf, Abdul, Ayub, Khurshid
Published in Journal of molecular graphics & modelling (01.07.2024)
Published in Journal of molecular graphics & modelling (01.07.2024)
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Journal Article
Adsorption performance of harmful gas molecules over copper decorated aluminene: a DFT study
Hassan, Muhammad, Ibrahim, Iram, Majid, Abdul, Buzdar, Saeed Ahmad, Shaheen, Humaira, Alarfaji, Saleh S., Khan, Muhammad Isa
Published in Adsorption : journal of the International Adsorption Society (01.08.2024)
Published in Adsorption : journal of the International Adsorption Society (01.08.2024)
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Journal Article
Exploring the sensing potential of Fe-decorated h-BN toward harmful gases: a DFT study
Khan, Muhammad Isa, Akber, Muhammad Imtiaz, Gul, Muhammad, ul ain, Noor, Iqbal, Tahir, Alarfaji, Saleh S, Mahmood, Abid
Published in RSC advances (21.02.2024)
Published in RSC advances (21.02.2024)
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Journal Article
Green Synthesis of Metal and Metal Oxide Nanoparticles Using Different Plants’ Parts for Antimicrobial Activity and Anticancer Activity: A Review Article
Bukhari, Aysha, Ijaz, Irfan, Gilani, Ezaz, Nazir, Ammara, Zain, Hina, Saeed, Ramsha, Alarfaji, Saleh S., Hussain, Sajjad, Aftab, Rizwana, Naseer, Yasra
Published in Coatings (Basel) (01.11.2021)
Published in Coatings (Basel) (01.11.2021)
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Journal Article
Computational Investigation of Near-Infrared-Absorbing Indeno[1,2‑b]indole Analogues as Acceptors in Organic Photovoltaic Devices
Alarfaji, Saleh S., Fatima, Doua, Ali, Bakhat, Sattar, Abdul, Hussain, Riaz, Hussain, Riaz, Ayub, Khurshid
Published in ACS omega (10.01.2023)
Published in ACS omega (10.01.2023)
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