A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Grimme, Stefan, Antony, Jens, Ehrlich, Stephan, Krieg, Helge·2010·The Journal of Chemical Physics
Cited by (113)
Items 101–113 of 113
- Selective Adsorption of CO
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over N
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on Graphene: Insights from First-Principles CalculationsFaghihnasiri, Mahdi, Branicio, Paulo S. · 2025 · The Journal of Physical Chemistry C
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- Thienothiophene‐Benzopyran Derivative and AQ4N‐Assembled Liposomes for Near‐Infrared II Fluorescence Imaging‐Guided Phototherapy, Chemotherapy, and Immune ActivationTang, Yuanyu, Pan, Tangna, Pang, E, Zhao, Shaojing, Shen, Xingxing, Tan, Qiuxia, Zhu, Pan, He, Dan, Wang, Benhua, Song, Xiangzhi et al. · 2025 · Small
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- Effect of Polydopamine Coating of Cellulose Nanocrystals on Performance of PCL/PLA Bio-NanocompositesKelnar, Ivan, Kaprálková, Ludmila, Krejčíková, Sabina, Dybal, Jiří, Vyroubalová, Michaela, Abdel-Mohsen, A. M. · 2023 · Materials
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- Theoretical insight into the opposite redox activity of iron complexes toward the ring opening polymerization of lactide and epoxideXu, Xiaowei, Lu, Han, Luo, Gen, Kang, Xiaohui, Luo, Yi · 2021 · Inorganic Chemistry Frontiers
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- Reactive calcium carbonate precipitation from an atomic cluster expansion potential and enhanced samplingIbrahim, Eslam, Lysogorskiy, Yury, Drautz, Ralf, Piaggi, Pablo M. · 2026 · arXiv