Search publications

Search results

6839 results: 6801 articles and 38 books or book chapters

1. 2921 Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems
   J. Jornet-Somoza, and I. Lebedeva
   J. Chem. Theory Comput. 15, 3743 (2019).
2. 2922 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).
3. 2923 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).
4. 2924 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).
5. 2925 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).
6. 2926 Colloidal systems chemistry. Replication, reproduction and selection at nanoscale
   M. Grzelczak
   J. Colloid Interface Sci. 537, 269 (2019).
7. 2927 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).
8. 2928 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).
9. 2929 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).
10. 2930 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).
11. 2931 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).
12. 2932 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).
13. 2933 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).
14. 2934 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).
15. 2935 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).
16. 2936 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).
17. 2937 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).
18. 2938 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).
19. 2939 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).
20. 2940 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).