Search publications

Search results

6931 results: 6893 articles and 38 books or book chapters

1. 201 The glass transition and the dynamics of water within pectin and metal-organic framework nanochannels
   F. Coin, V. Di Lisio, D. Cangialosi, and S. Cerveny
   J. Chem. Phys. 163, 164507 (2025).
2. 202 Temperature induced metallicity of the Si(001) surface: Insights from molecular dynamics simulations with machine learned interatomic potentials
   S. Joshi, J. Janisch, D. Le, and T. S. Rahman
   J. Chem. Phys. 163, 244708 (2025).
3. 203 Femtosecond laser-induced diffusion and desorption of CO adsorbed on a weak electron-phonon coupling surface: Cu(110)
   F. J. Gonzalez, A. S. Muzas, J. I. Juaristi, M. Alducin, and H. F. Busnengo
   J. Chem. Phys. 162, 174701 (2025).
4. 204 Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron-phonon coupling, and electron-electron correlation. An application to NMR-based chiral discrimination
   E. V. Ludena, J. M. Ugalde, X. Lopez, L. -S. Bouchard, and V. Mujica
   J. Chem. Phys. 163, 124119 (2025).
5. 205 Photoinduced dynamics of CO on Ru(0001): Understanding experiments by simulations with all degrees of freedom
   B. Mladineo, J. I. Juaristi, M. Alducin, P. Saalfrank, and I. Loncaric
   J. Chem. Phys. 163, 044103 (2025).
6. 206 Pruned-ADAPT-VQE: Compacting molecular ansatze by removing irrelevant operators
   N. Vaquero-Sabater, A. Carreras, and D. Casanova
   J. Chem. Theory Comput. 21, 8720 (2025).
7. 207 Efficient energy measurement of chemical systems via one-particle reduced density matrix: a NOF-VQE approach for optimized sampling
   J. F. H. Lew-Yee, and M. Piris
   J. Chem. Theory Comput. 21, 2402 (2025).
8. 208 State-interaction approach for g-matrix calculations in TDDFT: Ground-excited state couplings and beyond first-order spin-orbit effects
   A. Cebreiro-Gallardo, and D. Casanova
   J. Chem. Theory Comput. 21, 6528 (2025).
9. 209 Magnetic properties, spin-vibration couplings, and temperature effects in phenalenyl and triangulene
   A. Omist, A. Cebreiro-Gallardo, M. Hugget, R. A. Boto, and D. Casanova
   J. Chem. Theory Comput. 21, 1153 (2025).
10. 210 Correlation-driven spin-component-scaled second-order Møller-Plesset perturbation theory (CD-SCS-MP2)
    A. Paulau, L. Soriano-Agueda, and E. Matito
    J. Chem. Theory Comput. 21, 9601 (2025).
11. 211 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).
12. 212 Energy and real space characteristics of non-covalent interactions across the periodic table
    E. Desmedt, K. Zator, T. Woller, R. A. Boto, M. Alonso, and J. Contreras-garcia
    J. Comput. Chem. 46, e70268 (2025).
13. 213 J-PAS: forecasting constraints on neutrino masses
    G. Rodrigues, A. J. Cuesta, J. Alcaniz, M. A. Resco, A. L. Maroto, M. Masip, J. G. Rodrigues, F. B. M. dos Santos, J. de C. Perez, J. E. Garcia-Farieta, C. Siqueira, F. Qin, Y. Wang, G. -B. Zhao, C. Hernandez-Monteagudo, V. Marra, R. Abramo, N. Benitez, S. Bonoli, S. Carneiro, et al.
    J. Cosmol. Astropart. Phys. , 047 (2025).
14. 214 The lifespan of our universe
    H. N. Luu, Y. -C. Qiu, and S. -H. H. Tye
    J. Cosmol. Astropart. Phys. 2025, 055 (2025).
15. 215 Attosecond dynamics of electron scattering by an absorbing layer
    R. O. Kuzian, and E. E. Krasovskii
    J. Electron Spectrosc. Relat. Phenom. 280, 147535 (2025).
16. 216 Probing the general axion-nucleon interaction in water Cherenkovexperiments
    M. Cavan-Piton, D. Guadagnoli, A. Iohner, P. Fernandez-Menendez, and L. Vittorio
    J. High Energy Phys. 2025, 70 (2025).
17. 217 Reconstructing neutrinoless double beta decay event kinematics in axenon gas detector with vertex tagging
    M. Martinez-Vara, K. Mistry, F. Pompa, B. J. P. Jones, J. Martin-Albo, M. Sorel, C. Adams, H. Almazan, V. Ivarez, B. Aparicio, A. I. Aranburu, L. Arazi, I. J. Arnquist, F. Auria-Luna, S. Ayet, C. D. R. Azevedo, K. Bailey, F. Ballester, M. del Barrio-Torregrosa, A. Bayo, et al.
    J. High Energy Phys. 2025, 170 (2025).
18. 218 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).
19. 219 Cryogenic cesium iodide as a potential PET material
    S. R. Soleti, A. Castillo, M. del Barrio-Torregrosa, C. Echeverria, M. Seemann, D. Zerzion, J. J. G. Cadenas, and J. I. Collar
    J. Instrum. 20, P06038 (2025).
20. 220 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).