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6834 results: 6796 articles and 38 books or book chapters

1. 2901 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).
2. 2902 [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).
3. 2903 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).
4. 2904 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).
5. 2905 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).
6. 2906 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).
7. 2907 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).
8. 2908 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).
9. 2909 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).
10. 2910 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).
11. 2911 MasterMSM: A Package for Constructing Master Equation Models of Molecular Dynamics
    D. de Sancho, and A. Aguirre
    J. Chem Inf. Model. 59, 3625 (2019).
12. 2912 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).
13. 2913 Water dynamics in the hydration shells of biological and non-biological polymers
    S. Cerveny, and J. Swenson
    J. Chem. Phys. 150, 234904 (2019).
14. 2914 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).
15. 2915 Singlet fission in spiroconjugated dimers
    M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
    J. Chem. Phys. 150, 204306 (2019).
16. 2916 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).
17. 2917 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).
18. 2918 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).
19. 2919 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).
20. 2920 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).