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6526 results: 6486 articles and 40 books or book chapters
Last updated: 24/03/2025-
1481 Flavin-mediated photoactivation of Pt(iv) anticancer complexes: computational insights on the catalytic mechanism
S. Scoditti, E. Dabbish, G. E. Pieslinger, E. Rezabal, X. Lopez, E. Sicilia, and L. Salassa
Phys. Chem. Chem. Phys. 24, 5323 (2022). -
1482 Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes
Y. Garcia-Rodeja Navarro, F. Feixas, E. Matito, and M. Sola
Phys. Chem. Chem. Phys. 24, 29333 (2022). -
1483 How to capture C2O2: structures and bonding of neutral and charged complexes [(NHC)-C2O2-(NHC)](q) (NHC = N-heterocyclic carbene; q=0, 1+, 2+)
C. Ding, L. Yao, L. Zhao, and G. Frenking
Phys. Chem. Chem. Phys. 24, 16732 (2022). -
1484 Variation of bending rigidity with material density: bilayer silica with nanoscale holes
M. Tomterud, S. D. Eder, C. Buechner, M. Heyde, H. -J. Freund, J. R. Manson, and B. Holst
Phys. Chem. Chem. Phys. 24, 30 (2022). -
1485 Surface dynamics on submonolayer Pb/Cu(001) surfaces
S. D. Borisova, V. Eremeev, G. G. Rusina, and V. Chulkov
Phys. Chem. Chem. Phys. 24, 5164 (2022). -
1486 Time-dependent density functional theory calculations of electronic friction in non-homogeneous media
N. E. Koval, D. Sanchez-Portal, A. G. Borisov, and R. Diez Muino
Phys. Chem. Chem. Phys. 24, 20239 (2022). -
1487 On surface chemical reactions of free-base and titanyl porphyrins with r-TiO2(110): a unified picture
L. Schio, D. Forrer, M. Casarin, A. Goldoni, C. Rogero, A. Vittadini, and L. Floreano
Phys. Chem. Chem. Phys. 24, 12719 (2022). -
1488 Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules
I. Ortiz de Luzuriaga, S. Elleuchi, K. Jarraya, E. Artacho, X. Lopez, and A. Gil
Phys. Chem. Chem. Phys. 24, 11510 (2022). -
1489 The role of high-energy phonons in electron-phonon interaction at conducting surfaces with helium-atom scattering
G. Benedek, J. R. Manson, and S. Miret-Artes
Phys. Chem. Chem. Phys. 24, 23135 (2022). -
1490 Atom-surface scattering in the classical multiphonon regime
J. R. Manson, and S. Miret-Artes
Phys. Chem. Chem. Phys. 24, 16942 (2022). -
1491 Electron-phonon coupling and superconductivity in a 2D Tl-Pb compound on Si(111)
I. Y. Sklyadneva, R. Heid, P. M. Echenique, and V. Chulkov
Phys. Chem. Chem. Phys. 24, 10140 (2022). -
1492 Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands
I. O. de Luzuriaga, A. Sanchez-Gonzalez, W. Synoradzki, X. Lopez, and A. Gil
Phys. Chem. Chem. Phys. 24, 25918 (2022). -
1493 gamma gamma decay as a probe of neutrinoless beta beta decay nuclear matrix elements
B. Romeo, J. Menendez, and C. Pena Garay
Phys. Lett. B 827, 136965 (2022). -
1494 Dynamical stabilization by vacuum fluctuations in a cavity: Resonant electron scattering in the ultrastrong light-matter coupling regime
D. A. Zezyulin, S. A. Kolodny, O. V. Kibis, I. Tokatly, and I. V. Iorsh
Phys. Rev. A 106, 043708 (2022). -
1495 Dark solitons in a trapped gas of long-range interacting bosons
M. Beau, A. del Campo, D. J. Frantzeskakis, T. P. Horikis, and P. G. Kevrekidis
Phys. Rev. A 105, 023323 (2022). -
1496 Entropy-based formulation of thermodynamics in arbitrary quantum evolution
S. Alipour, A. T. Rezakhani, A. Chenu, A. del Campo, and T. Ala-Nissila
Phys. Rev. A 105, L040201 (2022). -
1497 Hybrid Photonic-Plasmonic Cavity Design for Very Large Purcell Factors at Telecommunication Wavelengths
A. Barreda, L. Mercade, M. Zapata-Herrera, J. Aizpurua, and A. Martinez
Phys. Rev. Appl. 18, 044066 (2022). -
1498 Tunable Near-Field Radiative Effect in a T-d-WTe2 Single Layer
C. -L. Zhou, Z. Torbatian, X. -H. Wu, Y. Zhang, H. -L. Yi, and D. Novko
Phys. Rev. Appl. 17, 014044 (2022). -
1499 Helicity Conservation for Mie Optical Cavities
J. Olmos-Trigo, and X. Zambrana-Puyalto
Phys. Rev. Appl. 18, 044007 (2022). -
1500 Room-Temperature van der Waals Perpendicular Ferromagnet Through Interlayer Magnetic Coupling
Y. Cao, X. Zhang, X. -P. Zhang, F. Yan, Z. Wang, W. Zhu, H. Tan, V. N. Golovach, H. Zheng, and K. Wang
Phys. Rev. Appl. 17, L051001 (2022).