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409 results: 403 articles and 6 books or book chapters

Last updated: 2025/11/03
  1. Scientific article 101 Two-Dimensional PC6 with Direct Band Gap and Anisotropic Carrier Mobility
    T. Yu, Z. Zhao, Y. Sun, A. Bergara, J. Lin, S. Zhang, H. Xu, L. Zhang, G. Yang, and Y. Liu
    J. Am. Chem. Soc. 141, 1599 (2019).
  2. Scientific article 102 Interplay of Three G-Quadruplex Units in the KIT Promoter
    C. Ducani, G. Bernardinelli, B. Hogberg, B. K. Keppler, and A. Terenzi
    J. Am. Chem. Soc. 141, 10205 (2019).
  3. Scientific article 103 Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes
    M. M. Siddiqui, S. K. Sarkar, S. Sinhababu, P. N. Ruth, R. Herbst-Irmer, D. Stalke, M. Ghosh, M. Fu, L. Zhao, D. Casanova, G. Frenking, B. Schwederski, W. Kaim, and H. W. Roesky
    J. Am. Chem. Soc. 141, 1908 (2019).
  4. Scientific article 104 Transport properties of topologically non-trivial bismuth tellurobromides BinTeBr
    F. Pabst, D. Hobbis, N. Alzahrani, H. Wang, I. P. Rusinov, V. Chulkov, J. Martina, M. Ruck, and G. S. Nolas
    J. Appl. Phys. 126, 105105 (2019).
  5. Scientific article 105 Role of the absorption on the spin-orbit interactions of light with Si nano-particles
    J. Olmos-Trigo, C. Sanz-Fernandez, D. R. Abujetas, A. Garcia-Etxarri, G. Molina-Terriza, J. A. Sanchez-Gil, F. Sebastian Bergeret, and J. Jose Saenz
    J. Appl. Phys. 126, 033104 (2019).
  6. Scientific article 106 Narrow Fano resonances in Si nanocylinder metasurfaces: Refractive index sensing
    D. R. Abujetas, J. J. Saenz, and J. A. Sanchez-Gil
    J. Appl. Phys. 125, 183103 (2019).
  7. Scientific article 107 Germanium as key dopant to boost the catalytic performance of small platinum clusters for alkane dehydrogenation
    E. Jimenez-Izal, J. -Y. Liu, and A. N. Alexandrova
    J. Catal. 374, 93 (2019).
  8. Scientific article 108 MasterMSM: A Package for Constructing Master Equation Models of Molecular Dynamics
    D. de Sancho, and A. Aguirre
    J. Chem Inf. Model. 59, 3625 (2019).
  9. Scientific article 109 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).
  10. Scientific article 110 Water dynamics in the hydration shells of biological and non-biological polymers
    S. Cerveny, and J. Swenson
    J. Chem. Phys. 150, 234904 (2019).
  11. Scientific article 111 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).
  12. Scientific article 112 Singlet fission in spiroconjugated dimers
    M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
    J. Chem. Phys. 150, 204306 (2019).
  13. Scientific article 113 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).
  14. Scientific article 114 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).
  15. Scientific article 115 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).
  16. Scientific article 116 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).
  17. Scientific article 117 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).
  18. Scientific article 118 Colloidal systems chemistry. Replication, reproduction and selection at nanoscale
    M. Grzelczak
    J. Colloid Interface Sci. 537, 269 (2019).
  19. Scientific article 119 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).
  20. Scientific article 120 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).
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