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6953 results: 6910 articles and 43 books or book chapters
Last updated: 2026/01/29-
3021
[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). -
3022
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). -
3023
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). -
3024
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). -
3025
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). -
3026
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). -
3027
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). -
3028
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). -
3029
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). -
3030
MasterMSM: A Package for Constructing Master Equation Models of
Molecular Dynamics
D. de Sancho, and A. Aguirre
J. Chem Inf. Model. 59, 3625 (2019). -
3031
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). -
3032
Water dynamics in the hydration shells of biological and non-biological
polymers
S. Cerveny, and J. Swenson
J. Chem. Phys. 150, 234904 (2019). -
3033
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). -
3034
Singlet fission in spiroconjugated dimers
M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
J. Chem. Phys. 150, 204306 (2019). -
3035
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). -
3036
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). -
3037
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). -
3038
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). -
3039
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). -
3040
Colloidal systems chemistry. Replication, reproduction and selection at
nanoscale
M. Grzelczak
J. Colloid Interface Sci. 537, 269 (2019).