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10 Papers found for "Theoretical Chemistry (10)"

The Rydberg – Klein – Rees Potential Energy Curves of the X3, and c1 States of O2 and the FCF of Herzberg II System

Entesar Ganash, Reem Al-Tuwirqi

Karachi University journal of science | 2006

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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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Some Quantum Chemical Study about the Second-Order Non-linearity of Two Imino Chromophores Containing Salen Group

Hojatollah Khabazzadeh, Iran Sheikhshoaie, Niaz Monadi, Samira Saeid-Nia

Journal of Applied Sciences | 2006

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STUDY OF THE RATES OF BIMOLECULAR IONIC REACTION BETWEEN DIBROMOSUCCINATE ANDHYDROXIDE IONS

Fahim Uddin, Hajira Tahir, Noor-un- Nisa

Pakistan Journal of Scientific and Industrial Research (Series B: Biological Sciences) | 2001

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INTERA TOMIC POTENTIALS AND THE DIPOLE MOMENT OF THE CADMIUM FORBID­ DEN (53P2 51So) TRANSITION FOR THE Cd2 SYSTEM

G D Roston, M S Helmi

Pakistan Journal of Scientific and Industrial Research (Series B: Biological Sciences) | 2002

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THEORETICAL INVESTIGATION OF COUMALIC ACID

Muhammad Aziz, Sohail Nadeem, Sundas Jamil

Gomal University Journal of Research | 2018

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Molecular Structures and Vibrational Spectra of Roesky’s Ketone, its Isomers and their Novel Sulfur and Selenium Analogues: An Insight using Density Functional Theory

L. Rhyman, P. Ramasami

Pakistan Journal of Chemistry | 2011

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Theoretical Study on Structure and Electronic Properties of 2, 5-Bis [4-N, N- Diethylaminostyryl] Thiophene and Its Furan and Pyrrole Derivatives Using Density Functional Theory (Dft)

A. Oyebamiji, B. Semire, M. Ahmad

Pakistan Journal of Chemistry | 2012

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New Numerical Approach to Calculate Microstates of Equivalent and Non-Equivalent Electrons

Ahmed Ali Rajput, Misha Shafi, Muhammad Daniyal, Muhammad Mustaqeem Zahid, Roohi Zafar, Saba Javaid

Proceedings of the Pakistan Academy of Sciences: A | 2023

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Doping of multi alkali and transition metals: Strengthening of electronic & NLO properties of Al12N12 nanocages

Atif Javed, Iqra Akber, Maleeha Hafeez, Muhammad Ahmad, Muhammad Amin Abid, Muhammad Riaz, Shabbir Hussain, Syed Mustansar Abbas

Pakistan Journal of Engineering and Applied Sciences | 2022

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