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6838 results: 6800 articles and 38 books or book chapters

1. 2921 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. 2922 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. 2923 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. 2924 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. 2925 Colloidal systems chemistry. Replication, reproduction and selection at nanoscale
   M. Grzelczak
   J. Colloid Interface Sci. 537, 269 (2019).
6. 2926 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. 2927 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. 2928 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. 2929 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. 2930 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. 2931 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. 2932 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. 2933 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. 2934 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. 2935 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. 2936 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. 2937 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. 2938 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. 2939 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. 2940 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).