Search publications

Search results

6708 results: 6668 articles and 40 books or book chapters

1. 2781 Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes
   R. Zalesny, M. Medved, S. P. Sitkiewicz, E. Matito, and J. M. Luis
   J. Chem. Theory Comput. 15, 3570 (2019).
2. 2782 Photophysics of Molecular Aggregates from Excited State Diabatization
   A. Carreras, O. Uranga-Barandiaran, F. Castet, and D. Casanova
   J. Chem. Theory Comput. 15, 2320 (2019).
3. 2783 Toward Efficient GW Calculations Using Numerical Atomic Orbitals: Benchmarking and Application to Molecular Dynamics Simulations
   P. Koval, M. P. Ljungberg, M. Muller, and D. Sanchez-Portal
   J. Chem. Theory Comput. 15, 4564 (2019).
4. 2784 Far Red Fluorescent Proteins: Where Is the Limit of the Acylimine Chromophore?
   V. Moron, M. Marazzi, and M. Wanko
   J. Chem. Theory Comput. 15, 4228 (2019).
5. 2785 Colloidal systems chemistry. Replication, reproduction and selection at nanoscale
   M. Grzelczak
   J. Colloid Interface Sci. 537, 269 (2019).
6. 2786 Nine questions on energy decomposition analysis
   J. Andres, P. W. Ayers, R. A. Boto, R. Carbo-Dorca, H. Chermette, J. Cioslowski, J. Contreras-Garcia, D. L. Cooper, G. Frenking, C. Gatti, F. Heidar-Zadeh, L. Joubert, A. Martin Pendas, E. Matito, I. Mayer, A. J. Misquitta, Y. Mo, J. Pilme, P. L. A. Popelier, M. Rahm, et al.
   J. Comput. Chem. 40, 2248 (2019).
7. 2787 Nonlinear, flexible, semisupervised learning scheme for face beauty scoring
   F. Dornaika, A. Elorza, K. Wang, and I. Arganda-Carreras
   J. Electron. Imaging 28, 043013 (2019).
8. 2788 Optical Time-Resolved Diagnostics of Laser-Produced Plasmas
   D. Batani, J. Santos, P. Forestier-Colleoni, D. Mancelli, M. Ehret, J. Trela, A. Morace, K. Jakubowska, L. Antonelli, D. del Sorbo, M. Manclossi, and M. Veltcheva
   J. Fusion Energy 38, 299 (2019).
9. 2789 Demonstration of the event identification capabilities of the NEXT-White detector
   P. Ferrario, J. M. Benlloch-Rodriguez, G. Diaz Lopez, J. A. Hernando Morata, M. Kekic, J. Renner, A. Uson, J. J. Gomez-Cadenas, C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, F. I. G. M. Borges, N. Byrnes, S. Carcel, J. V. Carrion, S. Cebrian, et al.
   J. High Energy Phys. , 052 (2019).
10. 2790 Electroluminescence TPCs at the thermal diffusion limit
    C. A. O. Henriques, C. M. B. Monteiro, D. Gonzalez-Diaz, C. D. R. Azevedo, E. D. C. Freitas, R. D. P. Mano, M. R. Jorge, A. F. M. Fernandes, J. J. Gomez-Cadenas, L. M. P. Fernandes, C. Adams, V. Alvarez, L. Arazi, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, A. Botas, S. Carcel, J. V. Carrion, et al.
    J. High Energy Phys. 2019, 027 (2019).
11. 2791 Energy calibration of the NEXT-White detector with 1% resolution near Q(beta beta) of Xe-136
    J. Renner, G. Diaz Lopez, P. Ferrario, J. A. Hernando Morata, M. Kekic, G. Martinez-Lema, F. Monrabal, J. J. Gomez-Cadenas, C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, J. V. Carrion, et al.
    J. High Energy Phys. , 230 (2019).
12. 2792 Radiogenic backgrounds in the NEXT double beta decay experiment
    P. Novella, B. Palmeiro, M. Sorel, A. Uson, P. Ferrario, J. J. Gomez-Cadenas, C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, V. Carrion, S. Cebrian, E. Church, et al.
    J. High Energy Phys. , 051 (2019).
13. 2793 Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserine
    E. Formoso, R. Grande-Aztatzi, and X. Lopez
    J. Inorg. Biochem. 192, 33 (2019).
14. 2794 Electron drift and longitudinal diffusion in high pressure xenon-helium gas mixtures
    A. D. McDonald, K. Woodruff, B. Al Atoum, D. Gonzalez-Diaz, B. J. P. Jones, C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodirguez, F. I. G. M. Borges, S. Carcel, V. Carrion, S. Cebrian, E. Church, C. A. N. Conde, G. Diaz, et al.
    J. Instrum. 14, P08009 (2019).
15. 2795 Propagation-based imaging phase-contrast enhanced imaging setup for single shot acquisition using laser-generated X-ray sources
    F. Barbato, D. Batani, D. Mancelli, J. Trela, G. Zeraouli, G. Boutoux, P. Neumayer, S. Atzeni, A. Schiavi, L. Volpe, V. Bagnoud, C. Brabetz, B. Zielbauer, P. Bradford, N. Woolsey, B. Borm, and L. Antonelli
    J. Instrum. 14, C03005 (2019).
16. 2796 Two- and one-dimensional quantum spin Hall states in stanene-functionalized GaTe and InTe matrices
    T. V. Menshchikova, I. P. Rusinov, P. Golub, I. Y. Sklyadneva, R. Heid, A. Isaeva, V. M. Kuznetsov, and E. V. Chulkov
    J. Mater. Chem. C 7, 7929 (2019).
17. 2797 Design, synthesis and amplified spontaneous emission of 1,2,5-benzothiadiazole derivatives
    R. Martin, P. Prieto, J. R. Carrillo, A. M. Rodriguez, A. de Cozar, P. G. Boj, M. A. Diaz-Garcia, and M. G. Ramirez
    J. Mater. Chem. C 7, 9996 (2019).
18. 2798 Site-selective symmetries of Eu3+-doped BaTiO3 ceramics: a structural elucidation by optical spectroscopy
    P. Serna-Gallen, H. Beltran-Mir, E. Cordoncillo, A. R. West, R. Balda, and J. Fernandez
    J. Mater. Chem. C 7, 13976 (2019).
19. 2799 Novel sol-gel SiO2-NaGdF4 transparent nano-glass-ceramics
    J. J. Velazquez, J. Mosa, G. Gorni, R. Bald, J. Fernandez, A. Duran, and Y. Castro
    J. Non-Cryst. Solids 520, 119447 (2019).
20. 2800 Diselenide Bonds as an Alternative to Outperform the Efficiency of Disulfides in Self-Healing Materials
    M. Irigoyen, A. Fernandez, A. Ruiz, F. Ruiperez, and J. M. Matxain
    J. Org. Chem. 84, 4200 (2019).