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6976 results: 6933 articles and 43 books or book chapters

1. 3041 Elastic properties of the TiZrNbTaMo multi-principal element alloy studied from first principles
   N. E. Koval, J. Inaki Juaristi, R. Diez Muino, and M. Alducin
   Intermetallics 106, 130 (2019).
2. 3042 Novel ternary layered manganese bismuth tellurides of the MnTe-Bi2Te3 system: Synthesis and crystal structure
   Z. S. Aliev, I. R. Amiraslanov, D. I. Nasonova, A. V. Shevelkov, N. A. Abdullayev, Z. A. Jahangirli, E. N. Orujlu, M. M. Otrokov, N. T. Mamedov, M. B. Babanly, and E. V. Chulkov
   J. Alloy. Compd. 789, 443 (2019).
3. 3043 Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process
   A. Saiz-Lopez, A. Ulises Acuna, T. Trabelsi, J. Carmona-Garcia, J. Z. Davalos, D. Rivero, C. A. Cuevas, D. E. Kinnison, S. P. Sitkiewicz, D. Roca-Sanjuan, and J. S. Francisco
   J. Am. Chem. Soc. 141, 8698 (2019).
4. 3044 [6]Cyclo-para-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character
   Z. Li, T. Y. Gopalakrishna, Y. Han, Y. Gu, L. Yuan, W. Zeng, D. Casanova, and J. Wu
   J. Am. Chem. Soc. 141, 16266 (2019).
5. 3045 A New Three-Dimensional Subsulfide Ir2In8S with Dirac Semimetal Behavior
   J. F. Khoury, A. J. E. Rettie, M. A. Khan, N. J. Ghimire, I. Robredo, J. E. Pfluger, K. Pal, C. Wolverton, A. Bergara, J. S. Jiang, L. M. Schoop, M. G. Vergniory, J. F. Mitchell, D. Y. Chung, and M. G. Kanatzidis
   J. Am. Chem. Soc. 141, 19130 (2019).
6. 3046 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).
7. 3047 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).
8. 3048 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).
9. 3049 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).
10. 3050 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).
11. 3051 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).
12. 3052 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).
13. 3053 MasterMSM: A Package for Constructing Master Equation Models of Molecular Dynamics
    D. de Sancho, and A. Aguirre
    J. Chem Inf. Model. 59, 3625 (2019).
14. 3054 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).
15. 3055 Water dynamics in the hydration shells of biological and non-biological polymers
    S. Cerveny, and J. Swenson
    J. Chem. Phys. 150, 234904 (2019).
16. 3056 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).
17. 3057 Singlet fission in spiroconjugated dimers
    M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
    J. Chem. Phys. 150, 204306 (2019).
18. 3058 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).
19. 3059 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).
20. 3060 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).