In silico investigation of the coumarin‐based organic semiconductors for the possible use in organic electronic devices von Siddiqui, Shamoon Ahmad

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Utilization of asymmetrical electron transport as strategy for modelling and design of efficient single molecule diodes: A DFT investigation von Kargeti, Ankit, Rasheed, Tabish, Ahmad Siddiqui, Shamoon

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In Silico Investigation for the Design of Redox Based Molecular Switch von Shamoon Ahmad Siddiqui

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Design and Exploration by Quantum Chemical Analysis of Photosensitizers Having [D−π–π–A]- and [D-D-triad-A]-Type Molecular Structure Models for DSSC von Kargeti, Ankit, Dhar, Rudra Sankar, Siddiqui, Shamoon Ahmad, Saleh, Na’il

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Superhalogen properties of PdFn (n=1–7) clusters using Quantum chemical method von Siddiqui, Shamoon Ahmad, Bouarissa, Nadir

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DFT Modeling of 4,6-Di(2-furyl)pyrimidine Derivatives As Efficient Charge Transfer Materials von Shamoon Ahmad Siddiqui, Abdullah, M. M.

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Molecular modeling and simulation for the design of dye sensitizers with mono- and di-substituted donor moieties von Siddiqui, Shamoon Ahmad

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Molecular Structure, Vibrational Spectra and Potential Energy Distribution of Colchicine Using ab Initio and Density Functional Theory von SIDDIQUI, Shamoon Ahmad, DWIVEDI, Apoorva, PANDEY, Anoop, SINGH, P. K., HASAN, Tanveer, JAIN, Sudha, MISRA, Neeraj

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DFT and TD-DFT Analysis for the Modeling of Efficient Organic Light Emitting Diode (OLED) von Siddiqui, Shamoon Ahmad

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In silico design of organic p–n junction diodes using quantum chemical calculations von Siddiqui, Shamoon Ahmad

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An exhaustive study of the efficiency and sensitivity of a radon cell coated with a new scintillation material von Abdalla, Ayman M., Siddiqui, Shamoon Ahmad, Kawaguchi, Noriaki, Yanagida, Takayuki

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Vibrational Spectra of Two Narcotics-A DFT Study von Anoop Kumar Pandey, Apoorva Dwivedi, Shamoon Ahmad Siddiqui, Neeraj Misra

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Quantum chemical study of IrFn (n = 1-7) clusters: An investigation of superhalogen properties von Siddiqui, Shamoon Ahmad, Rasheed, Tabish

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DFT investigation on D-π-A structures for n type semiconducting material for the application in organic field effect transistors von Kargeti, Ankit, Rasheed, Tabish, Ahmad Siddiqui, Shamoon

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Design of two novel dyes having maximum absorption in infrared region: A DFT investigation von Rasheed, Tabish, Kargeti, Ankit, Siddiqui, Shamoon Ahmad

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Quantum chemical calculations on molecules with donor-π-acceptor structures for efficient organic field effect transistor von Kargeti, Ankit, Rasheed, Tabish, Ahmad Siddiqui, Shamoon

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Molecular modeling and simulation of some efficient charge transfer materials using density functional theory von Siddiqui, Shamoon Ahmad, Abdullah, Mohammad Margub

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Physio-Chemical Properties and Dielectric Behavior of As-Grown Manganese Oxide (γ-Mn2O3) Nanoparticles von Abdullah, M. M., Siddiqui, Shamoon Ahmad, Al-Abbas, Saleh M.

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First principle study of CrF n (n = 1–7) nano clusters: An investigation of superhalogen properties von Siddiqui, Shamoon Ahmad

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First principle study of the interaction of elemental Hg with small neutral, anionic and cationic Pdn (n = 1‒6) clusters von SIDDIQUI, SHAMOON AHMAD, BOUARISSA, NADIR

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