default author photo

Abdul Rauf

affiliation not provided to SSRN

  • affiliation not provided to SSRN

SCHOLARLY PAPERS

5

DOWNLOADS

727

TOTAL CITATIONS

0

Scholarly Papers (5)

Actions:
Email selected abstracts
1.

H-Migration Effect on Aromaticity, Spectroscopic Behavior and Robust Nlo Response of the Pyrazine Based Push Pull Chromophores

Number of pages: 30 Posted: 02 Sep 2024
Muhammad Arshad, Muhammad Ibrahim, Muhmmad Arif Ali, Dr Afifa Yousuf, Asad Ullah, Sabir Ali Siddique, Abdul Rauf and Hong-Liang Xu
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Government Sadiq College Women University Bahawalpur, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Northeast Normal University
Downloads 217 (351,440)

Abstract:

Loading...

Proton-migration, Aromaticity, First hyperpolarizability, DFT, TD-DFT, Spectroscopy

2.

Reactivity, Stability, Thermodynamics, and Igm-Hirshfeld Surface Analysis of Sulfonium, Phosphonium, and Ammonium Based Ionic Liquids: Density Functional Theory Exploration

Number of pages: 45 Posted: 15 Aug 2024
Muhammad Arshad, Danish Ali, Muhmmad Arif Ali, Dr Afifa Yousuf, Muhammad Sarfraz, Sabir Ali Siddique, Abdul Rauf, Hong-Liang Xu and Shabir Muhammad
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Government Sadiq College Women University Bahawalpur, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Northeast Normal University and King Khalid University
Downloads 214 (356,192)

Abstract:

Loading...

Ionic liquids, Density functional theory, Thermodynamics, Hirshfeld Surface, AIM

3.

Discovery of Pyrrole-Triphenylamine Based Novel Organic Sensitizers for Dye-Sensitized Solar Cells: A First Principal Study

Number of pages: 25 Posted: 07 Aug 2023
Sabir Ali Siddique, Babar Ali, Muhammad Bilal Ahmed Siddique, Ali Rauf, Riaz Hussain, Muhmmad Arif Ali, Tariq Mahmood, Sadia Altaf, Abdul Rauf, Xin Liu and Muhammad Arshad
affiliation not provided to SSRN, University of Okara, Shandong University, Lahore University of Management Sciences, University of Okara, affiliation not provided to SSRN, COMSATS University Islamabad, University of Sialkot, affiliation not provided to SSRN, Dalian University of Technology and affiliation not provided to SSRN
Downloads 135 (540,814)

Abstract:

Loading...

Renewable energy, Optoelectronic, Light harvesting efficiency, Semiconductor, Solar cells

4.

Deciphering the Role of Flutamide, Fluorouracil, and Furomollugin Based Ionic Liquids in Potent Anticancer Agents: Quantum Chemical, Medicinal, Molecular Docking and Md Simulation Studies

Number of pages: 56 Posted: 02 Oct 2024
Muhammad Arshad, Danish Ali, Muhammad Arif Ali, Muhammad Sarfraz, Dr Afifa Yousuf, Rasham Zulfiqar, Abdul Rauf and Hong-Liang Xu
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Government Sadiq College Women University Bahawalpur, affiliation not provided to SSRN, affiliation not provided to SSRN and Northeast Normal University
Downloads 114 (621,896)

Abstract:

Loading...

Ionic liquids, Hirshfeld analysis, AIM, Anti-Cancer, ADME, Molecular Docking, MD simulation

5.

Synthesis, Spectral Characterization, Electron Localization Function, Density of State, and Electro-Optical Properties of Cyanoacrylamide Derived Knoevenagel Adducts

Number of pages: 33 Posted: 01 Nov 2024
Khalil Ahmed Nazish, Asad Ullah, Danish Ali, Muhmmad Arif Ali, Dr Afifa Yousuf, Sabir Ali Siddique, Muhammad Waqas Ashraf, Abdul Rauf and Muhammad Arshad
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Government Sadiq College Women University Bahawalpur, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 47 (1,109,210)

Abstract:

Loading...

Synthesis, Spectroscopy, Hyperpolarizability, Density of State, Frontier molecular orbitals, Electron localized function