Journal of Molecular Graphics and Modelling

Работ: 15

Журнал · ISSN 1093-3263

DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug
Ali B.M. Ali, Ammar Yasir Ahmed, G. Padma Priya +8
СтатьяGraphene research and applicationsJournal of Molecular Graphics and Modelling2025Цитирований: 2
ABI
Modification of graphenylene nanostructure as a promising material for adsorption and sensing of 5-fluorouracil: First-principles investigations
Ali B.M. Ali, Abdulsalam Abdulsattar Abdulazez, G. Padma Priya +8
СтатьяGraphene research and applicationsJournal of Molecular Graphics and Modelling2025Цитирований: 2
ABI
Effect of channel roughness on the particle diffusion and permeability of carbon nanotubes in reverse electrodialysis process applying molecular dynamics simulation
Yabing Li, Ali B.M. Ali, Nelly Esther Flores Tapia +3
СтатьяMembrane-based Ion Separation TechniquesJournal of Molecular Graphics and Modelling2024Цитирований: 1
ABI
Drug delivery mechanism of isoniazid drug on Tetragonal aluminum nitride by DFT study
Heba Nawfal Al Araji, Ehab Yassen Theab, Shirin Shomurotova +7
СтатьяNonlinear Optical Materials ResearchJournal of Molecular Graphics and Modelling2025Цитирований: 1
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DFT study of pure and Pt-decorated BN nanocone as a nanocarrier for nitrosourea anticancer drug
Yousef A. Bin Jardan, Fadhel F. Sead, Dharmesh Sur +6
СтатьяBoron and Carbon Nanomaterials ResearchJournal of Molecular Graphics and Modelling2025Цитирований: 0
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Computational insights into the corrosion inhibition mechanism of hyoscyamine and zonisamide on mild steel: A combined DFT, MD, and NCI analysis
Valentine Chikaodili Anadebe, Collince Omondi Awere, Abhinay Thakur +7
СтатьяCorrosion Behavior and InhibitionJournal of Molecular Graphics and Modelling2025Цитирований: 0
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Structure-based design of a multi-epitope vaccine candidate against marburg virus using immunoinformatics and dynamics simulations
Mohamed J. Saadh, Faris Anad Muhammad, Rafid Jihad Albadr +9
Статьяvaccines and immunoinformatics approachesJournal of Molecular Graphics and Modelling2025Цитирований: 0
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Unveiling the role of Pt doping on the sensor behavior of graphene-based ternary (Boron)x-(Nitrogen)y-(Carbon)z for (x=y=1, z=2) monolayer for detection of NO2 and SO2 gases
Mustafa Habeeb Chyad, Abdulrahman T. Ahmed, Shoira Formanova +7
СтатьяGraphene research and applicationsJournal of Molecular Graphics and Modelling2025Цитирований: 0
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Computational modeling of novel perovskite oxides InXO3 (Be, Ca): Phase stable and sustainable materials for optoelectronic devices
M. Mustafa Azeem, Muhammad Khuram Shahzad, Bekzod Matyakubov +5
СтатьяPerovskite Materials and ApplicationsJournal of Molecular Graphics and Modelling2025Цитирований: 0
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Uncovering the potential of two-dimensional T-BC monolayer as anode for Ca-ion batteries: A computer-based study and electrochemical properties
Nagindar K. Singh, A.K. Hammad, Shirin Shomurotova +8
СтатьяAdvancements in Battery MaterialsJournal of Molecular Graphics and Modelling2025Цитирований: 0
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Theoretical study of graphenylene -like boron phosphide monolayer as an encouraging anode electrode material for Ca-ion batteries
Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8
СтатьяAdvancements in Battery MaterialsJournal of Molecular Graphics and Modelling2025Цитирований: 0
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Role of surface terminations in enhancing CrTe2 MXene performance for LIBs
Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8
СтатьяMXene and MAX Phase MaterialsJournal of Molecular Graphics and Modelling2026Цитирований: 0
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Theoretical insights into the application of petal Graphyne monolayer as a promising sensor for propylene oxide
Qamar Abuhassan, Kamel A. Saleh, Omayma Salim Waleed +8
СтатьяGas Sensing Nanomaterials and SensorsJournal of Molecular Graphics and Modelling2026Цитирований: 0
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Corrigendum to “DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug” [J. Mol. Graph. Model. 142 (2026) 109194]
Ali B.M. Ali, Ammar Yasir Ahmed, G. Padma Priya +8
СтатьяGraphene research and applicationsJournal of Molecular Graphics and Modelling2026Цитирований: 0
ABI
Understanding the synergistic role of Ni/Pt doping and γ-Al2O3 support in tuning CO2 adsorption and activation on Cu13 nanoclusters
Qamar Abuhassan, Husni Farah, Omayma Salim Waleed +8
СтатьяCatalysts for Methane ReformingJournal of Molecular Graphics and Modelling2026Цитирований: 0
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