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1. Density functional theory of adsorption of O2 on Mn-Fe (111) surface NSTL国家科技图书文献中心
Shanqisong Huang - 《Third International Conference on Electrical,Electronics,and Information Engineering (EEIE 2024)》 - International Conference on Electrical,Electronics,and Information Engineering - 2025, - 135121N.1~135121N.6 - 共6页
Bhaskar Banerjee | Bobby Solanki... - 《2nd Online International Conference on Environment and Energy Materials 2023 (INCEEM-2023),Issue 1》 - International Conference on Environment and Energy Materials - 2025, - 2400177~9 - 共9页
3. Study of Multiphase Interface Interaction Mechanisms During Bioleaching by DFT: A New Perspective NSTL国家科技图书文献中心
Xing-fu Zheng | Jin-lan Xia... - 《Proceedings of the 63rd Conference of Metallurgists,vol.2》 - Conference of Metallurgists - 2025, - 1109~1111 - 共3页
Marianna Vasilakaki | Nikolaos Ntallis... - 《Parallel Processing and Applied Mathematics,Part III》 - Workshop on Language-Based Parallel Programming | Minisymposium on HPC Applications in Physical Sciences | International Conference on Parallel Processing and Applied Mathematics | Workshop on Scheduling for Parallel Computing | Workshop on Applied High-Performance Numerical Algorithms for PDEs | Special Session on Parallel SVD/EVD and its Application in Matrix Computations | Minisymposium on HPC Applications in Physical Sciences | WorkshoponComplexCollective Systems | Workshop on Advancements of Global Challenges Applications | Workshop on Quantum Computing and Communication | Workshop on Applications of Machine Learning and Artificial Intelligencein High-Performance Computing | Workshop on Energy Efficient Operation of HPC Systems | WorkshoponModels,AlgorithmsandMethodologiesforHybridParallelisminNewHPCSystems - 2025, - 244~258 - 共15页
5. Band Gap Engineering of Nanocones via Mono-Hydrogenation NSTL国家科技图书文献中心
A A El-Barbary | S.M.Khurmy... - 《2nd Online International Conference on Environment and Energy Materials 2023 (INCEEM-2023),Issue 1》 - International Conference on Environment and Energy Materials - 2025, - 2400002~6 - 共6页
6. Multiple Exciton Generation in MoS2 Nanostructures: A Density Functional Theory Study NSTL国家科技图书文献中心
Nur Hidayati Ain Nat... | Saifful Kamaluddin M...... - 《Intelligent manufacturing and mechatronics: selected articles from iM3F 2023, 7-8 August, Pekan, Malaysia》 - Innovative Manufacturing, Mechatronics & Materials Forum - 2024, - 397~405 - 共9页
7. Theoretical Study of Electronic Properties of Graphene via Density Functional Theory NSTL国家科技图书文献中心
I Ramli | Sukarti - 《Proceedings of the 9th International Conference on Advanced Material Engineering & Technology : Langkawi, Malaysia, 20-21 December 2021》 - International Conference on Advanced Material Engineering & Technology - 2024, - 020138-1~020138-4 - 共4页
8. Physisorption Interaction of Nucleobases on ZrGeTe4 Using Density Functional Theory Study for Biomolecule Sensing NSTL国家科技图书文献中心
Mohd Mufeed | Ankit Sirohi... - 《2024 8th IEEE Electron Devices Technology & Manufacturing Conference: EDTM 2024, Bangalore, India, 3-6 March 2024》 - IEEE Electron Devices Technology and Manufacturing Conference - 2024, - 1~3 - 共3页
9. Time-dependent Density Functional Theory Studies on PolyBIMN, a Functionalised Conducting Polymer NSTL国家科技图书文献中心
Lekshmi Manoj | Sharanya Rajeev Pill...... - 《Proceedings of the International Conference on Advances in Material Science and Chemistry (ICAMSC - 2023) : Amritapuri, India, 2-4 November 2023》 - International Conference on Advances in Material Science and Chemistry - 2024, - 020003-1~020003-4 - 共4页
10. Analysis of Viscous Mechanism of Heavy Oil Based on Density Functional Theory (DFT) NSTL国家科技图书文献中心
Yu Tiantian | Zheng Wangang... - 《Proceedings of the International Field Exploration and Development Conference 2023, Vol. 8,Set1: Jia en Lin, editor》 - International Field Exploration and Development Conference - 2024, - 870~880 - 共11页
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