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24 Papers found for "Quantum Chemistry (24)"

Electronic and Band Gap Structure of Cd-Doped Gadolinium Oxide: A DFT Based Theoretical Study

Malik Sajjad Mehmood, Mansoor Ahmad Baluch, Sana Wajid

NUST Journal of Natural Sciences | 2023

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STRUCTURAL, ELECTRONIC AND NATURAL BONDING ORBITALS (NBOS) ANALYSIS OF CHLOROBENZALDEHYDE SCHIFF BASES: A DFT STUDY

Muhammad Talha, Adnan Shahzad, Ikram Ud Din, Muhammad Jamil, Naila, Obaidullah Shah, Shakir Ullah, Sidra Saeed, Zahoor Ahmad

Spectrum of Engineering Sciences | 2025

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Fullerenes: A Group theoretical View Point

K.A. Siddiqui, Lubna M. Sindi, M.S.G.Al-Ahmadi

Karachi University journal of science | 2001

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Potential energy Calculations of 4’-Fluoro-4-1[4-(2-pyridyl)-1-Piperazinyl] Butyrophenone (asaperone)

I.M.Kidwai, M.A. Haleem, M.Ismail, Naheed Akhtar

Karachi University journal of science | 1995

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Potential Energy Calculations of (RS)-1, 4-Dibenzoyl-CIS-2,5Dimethyl Piperazine

I.M.Kidwai, M. Ismail, M.A. Haleem, Naheed Akhter

Karachi University journal of science | 1994

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QUANTUM CHEMICAL INVESTIGATION OF SELECTED PESTICIDES ADSORPTION OVER SULFONYL HYDRAZIDE BASED ADSORBENTS

Abdul Latif, Adnan Shahzad, Fazal Dayan, Hafiz Arshad Ali, Hamza Khan, Ijaz Ul Haq, Muhammad Omer, Naila, Rizwan Ullah, Salma, Sidra Khan, Zahoor Ahmad

Spectrum of Engineering Sciences | 2025

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Investigation The Non Linear optical Properties and Spectroscopy Properties of Polyimide Using DFT

M. A. Al-Kaabi, Qasim Hassan Ubaid, Zainab A. Ahmed

Journal of Neonatal Surgery | 2025

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A DFT Investigation of Anion Photoelectron Spectroscopy and Franck Condon Spectroscopy of Cadmium Sulphide Clusters

Abdul Majid, Alia Jabeen, Mehreen Javed

Pakistan Journal of Scientific and Industrial Research (Series A: Physical Sciences) | 2024

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First Principles Investigation to Explore Effects of Thulium Doping on Electronic Properties of ZnO

Abdul Majid, Alia Jabeen, Muhammad Farooq

Pakistan Journal of Scientific and Industrial Research (Series A: Physical Sciences) | 2025

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Optical properties of the freestanding (2,2) single-walled boron nitride nanotube

Freddy Haryanto, Riri Jonuarti, Suprijadi

ARPN Journal of Engineering and Applied Sciences | 2020

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