Search publications

Search results

7268 results: 7208 articles and 60 books or book chapters

1. 1621 Double Centrosymmetric Si•••π tetrel bonds as new synthons-evidence from crystal structures and DFT calculations
   M. Aarabi, S. Gholami, and S. J. Grabowski
   J. Phys. Chem. A 127, 9995 (2023).
2. 1622 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).
3. 1623 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).
4. 1624 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).
5. 1625 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).
6. 1626 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).
7. 1627 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).
8. 1628 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).
9. 1629 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).
10. 1630 Steering on-surface reactions by kinetic and thermodynamic strategies
    T. Wang, Q. Fan, and J. Zhu
    J. Phys. Chem. Lett. 14, 2251 (2023).
11. 1631 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).
12. 1632 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).
13. 1633 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).
14. 1634 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).
15. 1635 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).
16. 1636 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).
17. 1637 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).
18. 1638 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).
19. 1639 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).
20. 1640 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).