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5991 results: 5951 articles and 40 books or book chapters

1. 21 Thermal conductivity of Portlandite: molecular dynamics based approach
   P. K. Sarkar, G. Goracci, and J. S. Dolado
   Cem. Concr. Res. 175, 107347 (2024).
2. 22 Revisiting El-Sayed synthesis: Bayesian optimization for revealing new insights during the growth of gold nanorods
   A. Rao, and M. Grzelczak
   Chem. Mat. 36, 2577 (2024).
3. 23 Compression eliminates charge traps by stabilizing perovskite grain boundary structures: an ab initio analysis with machine learning force field
   D. Liu, Y. Wu, M. R. Samatov, A. S. Vasenko, E. V. Chulkov, and O. V. Prezhdo
   Chem. Mat. 36, 2898 (2024).
4. 24 Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene
   A. Ugartemendia, I. Casademont-Reig, L. Zhao, Z. Zhang, G. Frenking, J. M. Ugalde, A. Garcia-Lekue, and E. Jimenez-Izal
   Chem. Sci. , (2024).
5. 25 %VBur index and steric maps: from predictivecatalysis to machine learning
   S. Escayola, N. Bahri-Laleh, and A. Poater
   Chem. Soc. Rev. 53, 853 (2024).
6. 26 3,4-Dimethylenecyclobutene: a building block for design of macrocycles with excited state aromatic low-lying high-spin states
   P. Preethalayam, J. C. Roldao, F. Castet, D. Casanova, S. Radenkovic, and H. Ottosson
   Chem.-Eur. J. , (2024).
7. 27 Temperature-modulated reversible clustering of gold nanorods driven by small surface ligands
   J. Kruse, A. Rao, A. Sanchez-Iglesias, J. L. Montano-Priede, A. I. Ibarra, E. Lopez, A. Seifert, A. Arbe, and M. Grzelczak
   Chem.-Eur. J. 30, e202302793 (2024).
8. 28 Gold-promoted biocompatible selenium arylation of small molecules,peptides and proteins
   D. H. Nakahata, I. Kanavos, M. Zubiria-Ulacia, A. Inague, L. Salassa, R. Lobinski, S. Miyamoto, J. M. Matxain, L. Ronga, and R. E. F. de Paiva
   Chem.-Eur. J. 30, e202304050 (2024).
9. 29 Deposited PtGe clusters as active and durable catalysts for CO oxidation
   A. Ugartemendia, J. M. Mercero, A. de Cozar, M. M. Melander, J. Akola, and E. Jimenez-Izal
   ChemCatChem 16, e202301137 (2024).
10. 30 Theoretical insights into bifurcated intramolecular dihydrogen bonds
    S. Gholami, M. Aarabi, and S. J. Grabowski
    ChemPhysChem 25, e202300849 (2024).
11. 31 A glimpse inside materials: Polymer structure - Glass transition temperature relationship as observed by a trained artificial intelligence
    L. A. Miccio, C. Borredon, and G. A. Schwartz
    Comput. Mater. Sci. 236, 112863 (2024).
12. 32 The PointGroupNRG code for numerical renormalization group calculations with discrete point-group symmetries
    A. Calvo-Fernandez, M. Blanco-Rey, and A. Eiguren
    Comput. Phys. Commun. 296, 109032 (2024).
13. 33 Sustainable geopolymer concrete for thermoelectric energy harvesting
    M. Barzegar, G. Goracci, P. Martauz, and J. S. Dolado
    Constr. Build. Mater. 411, 134398 (2024).
14. 34 Modulated spin dynamics of [Co2] coordination helicates via differential strand composition
    L. A. Barrios, N. Capo, H. Boulehjour, D. Reta, I. Tejedor, O. Roubeau, and G. Aromi
    Dalton Trans. , (2024).
15. 35 Impact of the purification procedure on the properties of all-inorganic CsPbI3xBrx mixed-halide perovskite quantum dots
    M. Hussein, A. A. Farghali, F. Barroso-Bujans, and L. Saad
    Egypt. J. Chem. 67, 4 (2024).
16. 36 Metastability and polymorphism in dihydroxybenzenes - implications forthermal energy storage
    T. S. N. de la Fuente, M. Gaboardi, K. M. Ismail, V. Di Lisio, D. Cangialosi, A. Otero-de-la-Roza, P. B. Coto, and F. Fernandez-Alonso
    Energy Adv. 3, 413 (2024).
17. 37 Transformer-based fall detection in videos
    A. Nunez-Marcos, and I. Arganda-Carreras
    Eng. Appl. Artif. Intell. 132, 107937 (2024).
18. 38 Probing the cellular fate of the protein corona around nanoparticles with nanofocused X-ray fluorescence imaging
    M. Skiba, G. Guedes, D. Karpov, N. Feliu, A. L. Cortajarena, W. J. Parak, and C. Sanchez-Cano
    Int. J. Mol. Sci. 25, 528 (2024).
19. 39 MLe-KCNQ2: An artificial intelligence model for the prognosis of missense KCNQ2 gene variants
    A. Saez-Matia, M. G. Ibarluzea, S. M-Alicante, A. Muguruza-Montero, E. Nunez, R. Ramis, O. R. Ballesteros, D. Lasa-Goicuria, C. Fons, M. Gallego, O. Casis, A. Leonardo, A. Bergara, and A. Villarroel
    Int. J. Mol. Sci. 25, 2910 (2024).
20. 40 Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab-initio methods
    L. Soriano-Agueda
    Int. J. Quantum Chem. 124, e27352 (2024).