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6626 results: 6586 articles and 40 books or book chapters
Last updated: May 14, 2025-
81 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). -
82 Attosecond dynamics of electron scattering by an absorbing layer
R. O. Kuzian, and E. E. Krasovskii
J. Electron Spectrosc. Relat. Phenom. 280, 147535 (2025). -
83 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). -
84 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). -
85 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). -
86 Optical and excitonic properties of calcite CaCO3
J. Janovec, J. S. Dolado, and A. Ayuela
J. Mater. Chem. C 13, 6267 (2025). -
87 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). -
88 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). -
89 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). -
90 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). -
91 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). -
92 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). -
93 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). -
94 Optical addressability of the arylnitrene spin triplet
G. Ricci, C. Tonnele, and D. Casanova
J. Phys. Chem. Lett. 16, 5659 (2025). -
95 Polarizability, plasmons and damping in pseudospin-1 gapped materials with a flat band
L. Zhemchuzhna, A. Iurov, G. Gumbs, and D. Huang
J. Phys.-Condes. Matter 37, 085701 (2025). -
96 3DCryoHolder: a new open access 3D printable system to store and transport silicon nitride membranes under cryogenic conditions for spectromicroscopy at low temperature
A. Dominguez-Alfaro, and C. Sanchez-Cano
J. Synchrot. Radiat. 32, 225 (2025). -
97 In-operando control of sum-frequency generation in tip-enhanced nanocavities
P. Roelli, I. Pascual Robledo, I. Niehues, J. Aizpurua, and R. Hillenbrand
Light-Sci. Appl. 14, 203 (2025). -
98 Varying the core topology in all-glycidol hyperbranched polyglycerols: synthesis and physical characterization
C. A. Pagnacco, A. Alvarez-Fernandez, A. Maestro, E. G. de San Roman, R. Lund, and F. Barroso-Bujans
Macromol. Rapid Commun. 46, 2400791 (2025). -
99 Clustering and nanoscale vitrimeric behavior in telechelic polybutadiene model vitrimers
A. Alegria, A. Arbe, J. Colmenero, N. Patelis, S. Bhaumik, M. Zhou, and N. Hadjichristidis
Macromolecules 58, 3407 (2025). -
100 From rheological concepts to additive manufacturing assessment of hydrogel-based materials for advanced bioprinting applications
M. I. Calafel, M. Criado-Gonzalez, R. Aguirresarobe, M. Fernandez, and C. Mijangos
Mater. Adv. , (2025).