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6763 results: 6725 articles and 38 books or book chapters

1. 2841 An adiabatic connection for doubly-occupied configuration interaction wave functions
   N. Vu, I. Mitxelena, and I. I. I. Eugene DePrince
   J. Chem. Phys. 151, 244121 (2019).
2. 2842 Water dynamics in the hydration shells of biological and non-biological polymers
   S. Cerveny, and J. Swenson
   J. Chem. Phys. 150, 234904 (2019).
3. 2843 Motions of water and solutes-Slaving versus plasticization phenomena
   I. Combarro Palacios, C. Olsson, C. S. Kamma-Lorger, J. Swenson, and S. Cerveny
   J. Chem. Phys. 150, 124902 (2019).
4. 2844 Singlet fission in spiroconjugated dimers
   M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
   J. Chem. Phys. 150, 204306 (2019).
5. 2845 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).
6. 2846 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).
7. 2847 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).
8. 2848 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).
9. 2849 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).
10. 2850 Colloidal systems chemistry. Replication, reproduction and selection at nanoscale
    M. Grzelczak
    J. Colloid Interface Sci. 537, 269 (2019).
11. 2851 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).
12. 2852 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).
13. 2853 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).
14. 2854 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).
15. 2855 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).
16. 2856 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).
17. 2857 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).
18. 2858 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).
19. 2859 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).
20. 2860 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).