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5979 results: 5939 articles and 40 books or book chapters

1. 21 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).
2. 22 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).
3. 23 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).
4. 24 %VBur index and steric maps: from predictivecatalysis to machine learning
   S. Escayola, N. Bahri-Laleh, and A. Poater
   Chem. Soc. Rev. 53, 853 (2024).
5. 25 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).
6. 26 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).
7. 27 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).
8. 28 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).
9. 29 Theoretical insights into bifurcated intramolecular dihydrogen bonds
   S. Gholami, M. Aarabi, and S. J. Grabowski
   ChemPhysChem 25, e202300849 (2024).
10. 30 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).
11. 31 Sustainable geopolymer concrete for thermoelectric energy harvesting
    M. Barzegar, G. Goracci, P. Martauz, and J. S. Dolado
    Constr. Build. Mater. 411, 134398 (2024).
12. 32 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).
13. 33 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).
14. 34 Transformer-based fall detection in videos
    A. Nunez-Marcos, and I. Arganda-Carreras
    Eng. Appl. Artif. Intell. 132, 107937 (2024).
15. 35 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).
16. 36 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).
17. 37 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).
18. 38 Chemical bonding induces one-dimensional physics in bulk crystal BiIr4Se8
    C. J. Pollak, G. Skorupskii, M. Gutierrez-Amigo, R. Singha, J. W. Stiles, F. Kamm, F. Pielnhofer, N. P. Ong, I. Errea, M. G. Vergniory, and L. M. Schoop
    J. Am. Chem. Soc. 146, 6784 (2024).
19. 39 Activation volume and quantum tunneling in the hydrogen transfer reaction between methyl radical and methane: A first computational study
    R. Cammi, and B. Chen
    J. Chem. Phys. 160, 104103 (2024).
20. 40 Time evolution of natural orbitals in ab initio molecular dynamics
    A. Rivero Santamaria, and M. Piris
    J. Chem. Phys. 160, 071102 (2024).