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243 results: 243 articles and 0 books or book chapters
Last updated: May 14, 2025-
81 Chronic treatment with adenosine A1 receptor antagonist promotes neurogenesis and improves outcome after cerebral ischemia
M. Ardaya, M. Benito-Munoz, E. Rubio-Lopez, M. Garbizu, L. Aguado, N. Mocha-Munoz, L. Iglesias, U. Aldutzin, C. Matute, F. N. Soria, V. Gomez-Vallejo, A. Garcia-Etxarri, J. Llop, F. Cavaliere, and A. Martin
J. Cereb. Blood Flow Metab. , (2025). -
82 Modeling and elucidating the behavior of a thermoresponsive LCST ionic liquid
H. O. Mohammed, A. de Cozar, and R. Zangi
J. Chem Inf. Model. 65, 785 (2025). -
83 Quantum geometry and adiabaticity in molecules and in condensed matter
Raffaele Resta
J. Chem. Phys. 162, 234102 (2025). -
84 How many distinct and reliable multireference diagnostics are there?
X. Xu, L. Soriano-Agueda, X. Lopez, E. Ramos-Cordoba, and E. Matito
J. Chem. Phys. 162, 124102 (2025). -
85 Long-term memory in lipid assemblies: Rate-independent hysteresis in the ripple-to-liquid-disordered transition of sphingomyelin bilayers
P. Llombart, I. de la Arada, E. J. Gonzalez-Ramirez, A. Alonso, L. G. MacDowell, and F. M. Goni
J. Chem. Phys. 162, 135101 (2025). -
86 Femtosecond laser-induced diffusion and desorption of CO adsorbed on a weak electron-phonon coupling surface: Cu(110)
F. J. Gonzalez, A. S. Muzas, J. I. Juaristi, M. Alducin, and H. F. Busnengo
J. Chem. Phys. 162, 174701 (2025). -
87 Efficient energy measurement of chemical systems via one-particle reduced density matrix: a NOF-VQE approach for optimized sampling
J. F. H. Lew-Yee, and M. Piris
J. Chem. Theory Comput. 21, 2402 (2025). -
88 Magnetic properties, spin-vibration couplings, and temperature effects in phenalenyl and triangulene
A. Omist, A. Cebreiro-Gallardo, M. Hugget, R. A. Boto, and D. Casanova
J. Chem. Theory Comput. 21, 1153 (2025). -
89 Clarification of some bonding concepts: Virial theorem, electron pair repulsion, and rotational barriers
W. H. E. Schwarz, G. Frenking, and S. Pan
J. Comput. Chem. 46, e70085 (2025). -
90 Attosecond dynamics of electron scattering by an absorbing layer
R. O. Kuzian, and E. E. Krasovskii
J. Electron Spectrosc. Relat. Phenom. 280, 147535 (2025). -
91 Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations
D. Silva-Brea, J. Aduriz-Arrizabalaga, D. De Sancho, and X. Lopez
J. Inorg. Biochem. 264, 112807 (2025). -
92 Analysis of microstructural, electronic and magnetic properties of nanocrystalline compound Sm2ZrCo16: effects of annealing temperature and role of intergranular exchange coupling
R. Fersi, A. Reinhold, A. Pereira, and A. P. Dalia
J. Magn. Magn. Mater. 626, 173085 (2025). -
93 A carnitine-based BODIPY photosensitizer
L. Maierhofer, R. Prieto-Montero, T. Cubiella, A. Diaz-Andres, N. Morales-Benitez, D. Casanova, V. Martinez-Martinez, M. -D. Chiara, E. Mann, and J. L. Chiara
J. Mat. Chem. B 13, 4330 (2025). -
94 Optical and excitonic properties of calcite CaCO3
J. Janovec, J. S. Dolado, and A. Ayuela
J. Mater. Chem. C 13, 6267 (2025). -
95 Computational analysis of the Lewis acid-catalyzed zwitterionic ring-expansion polymerization (ZREP) of monosubstituted ethylene oxide
X. Gastearena, F. Barroso-Bujans, F. Ruiperez, and J. M. Matxain
J. Org. Chem. 90, 2592 (2025). -
96 Mechanistic insights into copper-catalyzed alkene aminofluorination and rational design of a metal-free strategy
Y. Zhang, S. Zhang, J. Xu, S. Ge, S. Sun, G. Frenking, and L. Zhao
J. Org. Chem. , (2025). -
97 Ru-Sn and Ru-Os mixed-metal clusters bearing heterocyclic thiolate ligand(s): Synthesis, crystal and electronic structures
M. M. Hossain, V. N. Nesterov, G. Hogarth, G. E. Pieslinger, S. E. Kabir, and S. Ghosh
J. Organomet. Chem. 1031, 123593 (2025). -
98 Artificial intelligence for advanced functional materials: exploring current and future directions
C. Malica, K. S. Novoselov, A. S. Barnard, V. Kalinin, S. R. Spurgeon, K. Reuter, M. Alducin, V. L. Deringer, G. Csanyi, N. Marzari, S. Huang, G. Cuniberti, Q. Deng, P. Ordejon, I. Cole, K. Choudhary, K. Hippalgaonkar, R. Zhu, O. A. von Lilienfeld, M. Hibat-Allah, et al.
J. Phys-Mater. 8, 021001 (2025). -
99 Oligothiophene-based photovoltaic materials for organic solar cells: Exciton properties by the CNDOL Fockian approach
A. Guerra-Barroso, Y. Perez-Badell, A. L. Montero-Alejo, and L. A. Montero-Cabrera
J. Phys. Chem. A 129, 3202 (2025). -
100 Second harmonic response of azobenzene self-assembled monolayers: the effect of push/pull substitution
A. Dellai, L. Muccioli, F. Castet, and C. Tonnele
J. Phys. Chem. C 129, 8417 (2025).