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Hybrid DFT Quality Thermochemistry and Environment Effects at GGA Cost via Local Quantum Embedding
出版事項 2025“…Quantum embedding, such as the Huzinaga-equation and projection-based models employed here, can make such computations more accessible by focusing the use of the more costly models to the atoms involved in forming and breaking the bonds or residing in interacting surfaces, etc. …”
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437
Hybrid DFT Quality Thermochemistry and Environment Effects at GGA Cost via Local Quantum Embedding
出版事項 2025“…Quantum embedding, such as the Huzinaga-equation and projection-based models employed here, can make such computations more accessible by focusing the use of the more costly models to the atoms involved in forming and breaking the bonds or residing in interacting surfaces, etc. …”
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438
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439
In Situ Construction of Optical Resonators from MXene Inks for Highly Modifiable and Scalable Structural Colors
出版事項 2025“…The method involves the self-assembly of these MXene nanosheets onto a predesigned substrate surface to form a Fabry–Perot (F–P) resonance cavity using a straightforward spraying technique. …”
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440
Nonclassical Crystallization of the L‑Tartrate Salt of Cyamemazine
出版事項 2025“…The combination of imaging and analytical techniques employed in this study allowed for elucidation of the nature and composition of the intermediate phases involved in the crystallization process.…”