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6834 results: 6796 articles and 38 books or book chapters
Last updated: 2025/11/03- 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              2913
              Water dynamics in the hydration shells of biological and non-biological
polymers
              
S. Cerveny, and J. Swenson
J. Chem. Phys. 150, 234904 (2019). - 
              
              
              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). - 
              
              
              2915
              Singlet fission in spiroconjugated dimers
              
M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
J. Chem. Phys. 150, 204306 (2019). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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). - 
              
              
              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).