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538 results: 538 articles and 0 books or book chapters
Last updated: Jan 16, 2026-
221
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). -
222
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). -
223
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). -
224
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). -
225
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). -
226
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). -
227
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). -
228
A-H•••π Hydrogen bonds - Where are proton acceptor sites located?
S. J. Grabowski
J. Phys. Chem. A 129, 11650 (2025). -
229
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). -
230
The electron-phonon interaction at the (110) surface of hydrogen-covered Mo1-x Re x alloys from helium atom scattering
G. Benedek, B. Flach, J. R. Manson, S. Miret-Artes, and J. P. Toennies
J. Phys. Chem. C 129, 17632 (2025). -
231
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). -
232
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). -
233
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). -
234
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). -
235
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). -
236
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). -
237
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). -
238
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). -
239
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). -
240
Optical addressability of the arylnitrene spin triplet
G. Ricci, C. Tonnele, and D. Casanova
J. Phys. Chem. Lett. 16, 5659 (2025).