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6780 results: 6742 articles and 38 books or book chapters

1. 1141 State-interaction approach for evaluating g-tensors within EOM-CC and RAS-CI frameworks: theory and benchmarks
   S. Kahler, A. Cebreiro-Gallardo, P. Pokhilko, D. Casanova, and A. I. Krylov
   J. Phys. Chem. A 127, 8459 (2023).
2. 1142 The nature of the low-temperature crossover of water in hard confinement
   Y. Beilinson, V. Schiller, J. Regentin, J. H. Melillo, A. Greenbaum, T. Antropova, S. Cerveny, M. Vogel, and Y. Feldman
   J. Phys. Chem. B 127, 5128 (2023).
3. 1143 Femtosecond laser-induced desorption of hydrogen molecules from Ru(0001): a systematic study based on machine-learned potentials
   S. Lindner, I. Loncaric, L. Vrcek, M. Alducin, J. I. Juaristi, and P. Saalfrank
   J. Phys. Chem. C 127, 14756 (2023).
4. 1144 Photoinduced CO desorption dominates over oxidation on different O + CO covered Ru(0001) surfaces
   A. Tetenoire, J. I. Juaristi, and M. Alducin
   J. Phys. Chem. C 127, 10087 (2023).
5. 1145 Thermal with electronic excitation for the unidirectional rotation of a molecule on a surface
   K. H. Au-Yeung, S. Sarkar, T. Kuehne, O. Aiboudi, D. A. Ryndyk, R. Robles, F. Lissel, N. Lorente, C. Joachim, and F. Moresco
   J. Phys. Chem. C 127, 16989 (2023).
6. 1146 Theoretical elastic constants of tobermorite enhanced with reduced graphene oxide through hydroxyl vs epoxy functionalization: a first-principles study
   M. Izadifar, J. S. Dolado, P. Thissen, N. Ukrainczyk, E. Koenders, and A. Ayuela
   J. Phys. Chem. C 127, 18117 (2023).
7. 1147 Stable room temperature nitrenes created by photolysis of crystalline 4-azido-2,3,5,6-tetrafluorobenzoic acid
   T. J. Gately, R. A. Boto, M. J. Tauber, D. Casanova, and C. J. Bardeen
   J. Phys. Chem. C 127, 4816 (2023).
8. 1148 Molecular doping in the organic semiconductor diindenoperylene: insights from many-body perturbation theory
   M. Mansouri, P. Koval, S. Sharifzadeh, and D. Sanchez-Portal
   J. Phys. Chem. C 127, 16668 (2023).
9. 1149 Steering on-surface reactions by kinetic and thermodynamic strategies
   T. Wang, Q. Fan, and J. Zhu
   J. Phys. Chem. Lett. 14, 2251 (2023).
10. 1150 Chiral-induced spin selectivity and non-equilibrium spin accumulation in molecules and interfaces: a first-principles study
    S. Naskar, V. Mujica, and C. Herrmann
    J. Phys. Chem. Lett. 14, 694 (2023).
11. 1151 From solution to surface: persistence of the diradical character of a diindenoanthracene derivative on a metallic substrate
    J. Hieulle, C. Garcia Fernandez, N. Friedrich, A. Vegliante, S. Sanz, D. Sanchez-Portal, M. M. Haley, J. Casado, T. Frederiksen, and J. I. Pascual
    J. Phys. Chem. Lett. 14, 11506 (2023).
12. 1152 Mn-Modified ZnO nanoflakes for optimal photoelectrochemical performance under visible light: experimental design and theoretical rationalization
    A. Das, D. Liu, R. R. Wary, A. S. Vasenko, O. V. Prezhdo, and R. G. Nair
    J. Phys. Chem. Lett. 14, 9604 (2023).
13. 1153 Electrical discharge in a cavitating liquid under an ultrasound field
    T. Karabassov, A. S. Vasenko, V. M. Bayazitov, A. A. Golubov, I. S. Fedulov, and A. V. Abramova
    J. Phys. Chem. Lett. 14, 10880 (2023).
14. 1154 Room-temperature C-C sigma-bond activation of biphenylene derivatives on Cu(111)
    J. P. Calupitan, T. Wang, A. P. Paz, B. Alvarez, A. Berdonces-Layunta, P. Angulo-Portugal, R. Castrillo-Bodero, F. Schiller, D. Pena, M. Corso, D. Perez, and D. G. de Oteyza
    J. Phys. Chem. Lett. 14, 947 (2023).
15. 1155 Chiral and catalytic effects of site-specific molecular adsorption
    B. Borca, T. Michnowicz, F. Aguilar-Galindo, R. Petuya, M. Pristl, V. Schendel, I. Pentegov, U. Kraft, H. Klauk, P. Wahl, A. Arnau, and U. Schlickum
    J. Phys. Chem. Lett. 14, 2072 (2023).
16. 1156 How adsorbed oxygen atoms inhibit hydrogen dissociation on tungsten surfaces
    A. Rodriguez-Fernandez, L. Bonnet, P. Larregaray, and R. D. Muino
    J. Phys. Chem. Lett. 14, 1246 (2023).
17. 1157 Insight into the temperature-dependent canting of 4f magnetic moments from 4f photoemission
    D. Y. Usachov, A. V. Tarasov, D. Glazkova, M. Mende, S. Schulz, G. Poelchen, A. V. Fedorov, O. Y. Vilkov, K. A. Bokai, V. S. Stolyarov, K. Kliemt, C. Krellner, and D. V. Vyalikh
    J. Phys. Chem. Lett. 14, 5537 (2023).
18. 1158 Efficient modeling of quantum dynamics of charge carriers in materials using short nonequilibrium molecular dynamics
    B. Wang, Y. Wu, D. Liu, A. S. Vasenko, D. Casanova, and O. V. Prezhdo
    J. Phys. Chem. Lett. 14, 8289 (2023).
19. 1159 Unusual low-energy collective charge excitations in high-Tc cuprate superconductors
    V. M. Silkin, S. -L. Drechsler, and D. V. Efremov
    J. Phys. Chem. Lett. 14, 8060 (2023).
20. 1160 Adsorption of silanediol-like molecules on TiO2 nano-clusters: a density-functional-theoretic study
    F. Aguilera-Granja, R. H. Aguilera-del-Toro, E. E. Vogel, and J. Escrig
    J. Phys. Chem. Solids 183, 111642 (2023).