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7284 results: 7224 articles and 60 books or book chapters

1. 3361 MasterMSM: A Package for Constructing Master Equation Models of Molecular Dynamics
   D. de Sancho, and A. Aguirre
   J. Chem Inf. Model. 59, 3625 (2019).
2. 3362 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).
3. 3363 Water dynamics in the hydration shells of biological and non-biological polymers
   S. Cerveny, and J. Swenson
   J. Chem. Phys. 150, 234904 (2019).
4. 3364 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).
5. 3365 Singlet fission in spiroconjugated dimers
   M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
   J. Chem. Phys. 150, 204306 (2019).
6. 3366 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).
7. 3367 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).
8. 3368 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).
9. 3369 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).
10. 3370 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).
11. 3371 Colloidal systems chemistry. Replication, reproduction and selection at nanoscale
    M. Grzelczak
    J. Colloid Interface Sci. 537, 269 (2019).
12. 3372 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).
13. 3373 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).
14. 3374 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).
15. 3375 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).
16. 3376 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).
17. 3377 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).
18. 3378 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).
19. 3379 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).
20. 3380 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).