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7023 results: 6980 articles and 43 books or book chapters
Last updated: 2026/03/05-
321
Thermodynamic model for the structure of Nd doped phosphate laser
glasses and the neodymium chemistry influence on their emission
properties
A. Lopez-Grande, J. Azkargorta, I. Iparraguirre, G. Tricot, S. Garcia-Revilla, J. Fernandez, R. Balda, and F. Munoz
J. Non-Cryst. Solids 668, 123779 (2025). -
322
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). -
323
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. 90, 8601 (2025). -
324
Toward a systematics for the lowest excited states of heteroaromatics enabled via cyclic π-conjugated carbenes and heteroelement analogues
N. P. Vedin, J. M. Toldo, S. Escayola, S. Radenkovic, M. Sola, and H. Ottosson
J. Org. Chem. 90, 9743 (2025). -
325
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). -
326
Origins of the anomalous Hall conductivity in the symmetry enforced
Fe3GeTe2 nodal-line ferromagnet
M. Garcia-Diez, H. Beidenkopf, I. Robredo, and M. G. Vergniory
J. Phys-Mater. 8, 035012 (2025). -
327
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). -
328
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). -
329
Assessing second-order perturbative corrections to restricted active space CI for valence excitations in organic molecules
J. B. Perumal Marisami, and D. Casanova
J. Phys. Chem. A 129, 11736 (2025). -
330
A-H•••π Hydrogen bonds - Where are proton acceptor sites located?
S. J. Grabowski
J. Phys. Chem. A 129, 11650 (2025). -
331
The electron−phonon interaction at the (110) surface of hydrogen covered Mo1−xRex alloys from helium atom scattering
Giorgio Benedek, Björn Flach, Joseph R. Manson, Salvador Miret-Artés, and J. Peter Toennies
J. Phys. Chem. C 129, 17632 (2025). -
332
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). -
333
Semianalytical treatment of collective vibrational strong coupling in infrared phononic and plasmonic nanoantennas
J. Sepulveda, J. L. Montano-Priede, J. Aizpurua, and R. Esteban
J. Phys. Chem. C 129, 12374 (2025). -
334
Hydrogen disproportionation reduces the bandgap and prolongs the carrier lifetime in Cs2AgBiBr6: Quantum dynamics analysis
E. S. Amirov, D. Liu, M. R. Samatov, D. A. Abrameshin, A. E. Abrameshin, A. S. Kramarenko, P. A. Troshin, W. Chu, H. Zhou, A. S. Vasenko, and O. V. Prezhdo
J. Phys. Chem. Lett. 16, 13075 (2025). -
335
Exciton properties and broadband emission in two-dimensional Ruddlesden-Popper perovskites
J. Tan, X. Jiang, D. Liu, Z. -K. Tang, E. V. Chulkov, and A. S. Vasenko
J. Phys. Chem. Lett. 16, 7659 (2025). -
336
Anharmonic motion-induced self-passivation of hydrogen defects in hybrid organic-inorganic perovskites: Ab initio quantum dynamics
X. Tian, A. S. Vasenko, E. V. Chulkov, and R. Long
J. Phys. Chem. Lett. 16, 10466 (2025). -
337
Molecular derailment via pressurization in methylammonium lead iodide
P. Marin-Villa, P. Gila-Herranz, M. Jimenez-Ruiz, A. Ivanov, J. Armstrong, K. Druzbicki, and F. Fernandez-Alonso
J. Phys. Chem. Lett. 16, 10906 (2025). -
338
Compression-induced lattice tilting quenches ion migration at metal halide perovskite grain boundaries: A machine learning molecular dynamics study
M. R. Samatov, D. Liu, E. S. Amirov, M. A. Bubnova, A. E. Abrameshin, A. S. Kramarenko, P. A. Troshin, W. Chu, H. Zhou, O. V. Prezhdo, and A. S. Vasenko
J. Phys. Chem. Lett. 16, 13068 (2025). -
339
Highly oriented nitrogen-doped flower-like ZnO nanostructures for boosting photocatalytic and photoelectrochemical performance: a combined experimental and DFT study
R. R. Wary, A. Das, E. S. Amirov, D. Liu, S. Gumber, E. A. Kazakova, A. S. Vasenko, and O. V. Prezhdo
J. Phys. Chem. Lett. 16, 5180 (2025). -
340
Ab Initio atomistic characterization of confined bulk and Bennett plasmons in metallic nanoparticles as probed by penetrating electrons
B. Candelas, M. Urbieta, A. Babaze, E. Ogando, A. G. Borisov, N. Zabala, and J. Aizpurua
J. Phys. Chem. Lett. 16, 2965 (2025).