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548 results: 548 articles and 0 books or book chapters
Last updated: 11/04/2024-
101 Large hysteretic hydrogen adsorption in double wall carbon nanotubes bundles
C. Cabrillo, R. Fernandez-Perea, F. J. Bermejo, C. Mondelli, M. A. Gonzalez, F. Fernandez-Alonso, E. Enciso, and M. -L. Saboungi
Carbon 219, 118766 (2024). -
102 Thermal conductivity of Portlandite: molecular dynamics based approach
P. K. Sarkar, G. Goracci, and J. S. Dolado
Cem. Concr. Res. 175, 107347 (2024). -
103 Thermoelectric properties of the main species present in Portland cement
R. O. Agbaoye, J. Janovec, A. Ayuela, and J. S. Dolado
Cem. Concr. Res. 183, 107587 (2024). -
104 Colour tuning in Eu/Ag-co-doped transparent LaF3 glass-ceramics
M. Sedano, A. Duran, G. C. Mather, J. Fernandez, R. Balda, and M. J. Pascual
Ceram. Int. 50, 23839 (2024). -
105 Hydrogen bond types which do not fit accepted definitions
S. J. Grabowski
Chem. Commun. 60, 6239 (2024). -
106 Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes
G. David, B. Le Guennic, and D. Reta
Chem. Commun. 60, 11988 (2024). -
107 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). -
108 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). -
109 A hydration model of actinide complexes by exploring their multipleminima hypersurface: the case of uranyl cation
A. Guerra-Barroso, Y. Perez-Badell, A. L. Montero-Alejo, M. E. Montero-Cabrera, and L. A. Montero-Cabrera
Chem. Phys. Lett. 856, 141667 (2024). -
110 Unveiling the spatial rearrangements of exhausted immobilisedmulti-enzyme systems through cryo-X-ray fluorescence nanoprobe imaging
J. Santiago-Arcos, M. Salome, F. Lopez-Gallego, and C. Sanchez-Cano
Chem. Sci. 15, 20515 (2024). -
111 Perylene-derivative singlet exciton fission in water solution
C. Magne, S. Streckaite, R. A. Boto, E. Dominguez-Ojeda, M. Gromova, A. Echeverri, F. S. Brigiano, M. -H. Ha-Thi, M. Franckevicius, V. Jasinskas, A. Quaranta, A. A. Pascal, M. Koepf, D. Casanova, T. Pino, B. Robert, J. Contreras-Garcia, D. Finkelstein-Shapiro, V. Gulbinas, and M. J. Llansola-Portoles, et al.
Chem. Sci. 15, 17831 (2024). -
112 Strong-field effects in the photo-induced dissociation of the hydrogenmolecule on a silver nanoshell
N. E. Koval, J. I. Juaristi, and M. Alducin
Chem. Sci. 15, 18581 (2024). -
113 Deciphering the chemical bonding of the trivalent oxygen atom in oxygendoped graphene
A. Ugartemendia, I. Casademont-Reig, L. Zhao, Z. Zhang, G. Frenking, J. M. Ugalde, A. Garcia-Lekue, and E. Jimenez-Izal
Chem. Sci. 15, 9858 (2024). -
114 Exploring the potential of natural orbital functionals
M. Piris
Chem. Sci. 15, 17284 (2024). -
115 Core-electron contributions to the magnetic response of molecules withheavy elements and their significance in aromaticity assessments
M. Orozco-Ic, L. Soriano-Agueda, D. Sundholm, E. Matito, and G. Merino
Chem. Sci. 15, 12906 (2024). -
116 %VBur index and steric maps: from predictive catalysis to machine learning
S. Escayola, N. Bahri-Laleh, and A. Poater
Chem. Soc. Rev. 53, 853 (2024). -
117 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. 30, e202303549 (2024). -
118 Can aromaticity be evaluated using atomic partitions based on the Hilbert-space?
J. Grèbol-Tomàs, E. Matito, and P. Salvador
Chem.-Eur. J. 30, e202401282 (2024). -
119 Oxygen-promoted on-surface synthesis of polyboroxine molecules
D. Toffoli, E. Turco, M. Stredansky, R. Costantini, M. Dell Angela, L. Floreano, A. Goldoni, A. Morgante, G. Kladnik, D. Cvetko, D. G. de Oteyza, L. Colazzo, M. S. G. Mohammed, A. Sala, G. Comelli, C. Africh, G. Fronzoni, G. Balducci, M. Stener, H. Ustunel, et al.
Chem.-Eur. J. 30, e202401565 (2024). -
120 Tuning electron-transfer driving force in photosynthetic special pair models
I. Ramirez-Wierzbicki, L. S. Merlinsky, G. E. Pieslinger, S. Dominguez, L. D. Slep, L. M. Baraldo, and A. Cadranel
Chem.-Eur. J. 31, e202402700 (2024).