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7391 results: 7331 articles and 60 books or book chapters
Last updated: 2026/10/13-
3461
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). -
3462
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). -
3463
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). -
3464
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). -
3465
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). -
3466
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). -
3467
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). -
3468
MasterMSM: A Package for Constructing Master Equation Models of
Molecular Dynamics
D. de Sancho, and A. Aguirre
J. Chem Inf. Model. 59, 3625 (2019). -
3469
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). -
3470
Water dynamics in the hydration shells of biological and non-biological
polymers
S. Cerveny, and J. Swenson
J. Chem. Phys. 150, 234904 (2019). -
3471
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). -
3472
Singlet fission in spiroconjugated dimers
M. E. Sandoval-Salinas, A. Carreras, J. Casado, and D. Casanova
J. Chem. Phys. 150, 204306 (2019). -
3473
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). -
3474
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). -
3475
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). -
3476
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). -
3477
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). -
3478
Colloidal systems chemistry. Replication, reproduction and selection at
nanoscale
M. Grzelczak
J. Colloid Interface Sci. 537, 269 (2019). -
3479
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). -
3480
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).