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TitleAuthor(s)SourcePage(s)
DFT and Molecular Docking Studies of an Antiviral Drug: MolnupiravirMishra, Abhinav; Sharma, Dipendra; Tiwari, Sugriva NathIJPAP Vol.61(09) [September 2023]810-812
Crystallographic, Quantum Chemical and Molecular Docking Analysis of a Benzoic Acid DerivativeSingh, D; Sharma, R; Deshmukh, S M; Murugavel, S; Lakshmanan, D; Kant, RIJPAP Vol.61(09) [September 2023]793-797
Identification of Potential Dipeptide Inhibitors for PfENR Enzyme in Fatty Acid Biosynthesis Pathway II: A Computational Study for Developing Novel AntimalarialsDevi, Kanika; Yadav, Jyoti Varsha; Gupta, Rajat Kumar; Chandra, Anshuman; Goel, Vijay KumarIJPAP Vol.61(09) [September 2023]803-806
DFT Study of Hexagonal Boron Nitride Electronic Properties Using Different Types of Exchange Correlation FunctionalsHassan, Issa Z; Kadhem, Hassan A; Mohammed, Abdul Hakim ShIJPAP Vol.61(10) [October 2023]840-845
In-silico Identification of Potential Inhibitors of Human Dihydrouridine Synthase 2 for Cancer TherapyChandra, Anshuman; Devi, Kanika; Othayoth, Jithesh; Goel, Vijay KumarIJPAP Vol.61(09) [September 2023]789-792
Insights into Structural, Electronic and Thermoelectric Properties of ZnTMN2 (TM= Zr and Hf): A First-Principles StudyKumar, Rajesh; Kumar, Ramesh; Sangeeta; Kumar, Kulwinder; Singh, MukhtiyarIJPAP Vol.61(11) (November 2023]910-914
Tuning of Magnetism and Band Gap in 2D-Chromia via Strain EngineeringSingla, Rahul; Singla, Renu; Kumar, Pankaj; Chauhan, Yogesh; Saini, G S S; Kashyap, Manish KIJPAP Vol.61(11) (November 2023]915-918
First Principle Study of Electronic, Optical and Thermoelectric Properties of CuInS2 and CuInSe2Pachuau, ZIJPAP Vol.61(02) [Feb 2023]108-114
Unravelling the Ultralow Thermal Conductivity of Ternary Antimonide Zintl Phase RbGaSb2: A First-principles StudySangeeta; Kumar, Rajesh; Kumar, Ramesh; Kumar, Kulwinder; SinghIJPAP Vol.61(09) [September 2023]731-734
Effects of Chromium (Cr) doping on Structural, Electronic and Magnetic Properties of Barium Selenide Compound: A Theoretical InvestigationPoonam; Nisha; Sunidhi; Saini, Hardev SIJPAP Vol.61(09) [September 2023]748-750

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