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6834 results: 6796 articles and 38 books or book chapters

1. 1641 Structure Matters: Asymmetric CO Oxidation at Rh Steps with Different Atomic Packing
   F. Garcia-Martinez, L. Raemisch, K. Ali, I. Waluyo, R. C. Bodero, S. Pfaff, I. J. Villar-Garcia, A. L. Walter, A. Hunt, V. Perez-Dieste, J. Zetterberg, E. Lundgren, F. Schiller, and J. E. Ortega
   J. Am. Chem. Soc. 144, 15363 (2022).
2. 1642 Generation and Characterization of the Charge-Transferred Diradical Complex CaCO2 with an Open-Shell Singlet Ground State
   Y. Zhou, S. Pan, X. Dong, L. Wang, M. Zhou, and G. Frenking
   J. Am. Chem. Soc. 144, 8355 (2022).
3. 1643 Chemisorption-Induced Formation of Biphenylene Dimer on Ag(111)
   Z. Zeng, D. Guo, T. Wang, Q. Chen, A. Matej, J. Huang, D. Han, Q. Xu, A. Zhao, P. Jelinek, D. G. de Oteyza, J. -S. Mcewen, and J. Zhu
   J. Am. Chem. Soc. 144, 723 (2022).
4. 1644 Aza-Triangulene: On-Surface Synthesis and Electronic and Magnetic Properties
   T. Wang, A. Berdonces-Layunta, N. Friedrich, M. Vilas-Varela, J. Patrick Calupitan, J. Ignacio Pascual, D. Pena, D. Casanova, M. Corso, and D. G. de Oteyza
   J. Am. Chem. Soc. 144, 4522 (2022).
5. 1645 Solid-State Pathway Control via Reaction-Directing Heteroatoms: Ordered Pyridazine Nanothreads through Selective Cycloaddition
   S. G. Dunning, L. Zhu, B. Chen, S. Chariton, V. B. Prakapenka, M. Somayazulu, and T. A. Strobel
   J. Am. Chem. Soc. 144, 2073 (2022).
6. 1646 Theoretical studies of furan and thiophene nanothreads: structures, cycloaddition barriers, and activation volumes
   B. Chen, V. H. Crespi, and R. Hoffmann
   J. Am. Chem. Soc. 144, 9044 (2022).
7. 1647 Phenanthrene-Extended Phenazine Dication: An Electrochromic Conformational Switch Presenting Dual Reactivity
   J. Dosso, B. Bartolomei, N. Demitri, F. P. Cossio, and M. Prato
   J. Am. Chem. Soc. 144, 7295 (2022).
8. 1648 Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surface
   W. Meelua, T. Wanjai, N. Thinkumrob, J. Olah, I. Mujika, J. R. Ketudat-Cairns, S. Hannongbua, and J. Jitonnom
   J. Biomol. Struct. Dyn. 40, 7439 (2022).
9. 1649 AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)
   A. Ganguly, H. -C. Tsai, M. Fernandez-Pendas, T. -S. Lee, T. J. Giese, and D. M. York
   J. Chem Inf. Model. 62, 6069 (2022).
10. 1650 The Wigner localization of interacting electrons in a one-dimensionalharmonic potential
    X. Telleria-Allika, M. E. Azor, G. Francois, G. L. Bendazzoli, J. M. Matxain, X. Lopez, S. Evangelisti, and J. A. Berger
    J. Chem. Phys. 157, 174107 (2022).
11. 1651 Superconducting Li10Se electride under pressure
    X. Zhang, Y. Zhao, A. Bergara, and G. Yang
    J. Chem. Phys. 156, 194112 (2022).
12. 1652 Simple evaluation of dynamic disorder effects on exciton transport
    A. Carreras, and D. Casanova
    J. Chem. Phys. 156, 044112 (2022).
13. 1653 Adiabatic electronic flux in molecules and in condensed matter
    R. Resta
    J. Chem. Phys. 156, 204118 (2022).
14. 1654 Studying and exploring potential energy surfaces of compressedmolecules: A fresh theory from the extreme pressure polarizablecontinuum model
    R. Cammi, and B. Chen
    J. Chem. Phys. 157, 114101 (2022).
15. 1655 The nature of the polar covalent bond
    L. Zhao, S. Pan, and G. Frenking
    J. Chem. Phys. 157, 034105 (2022).
16. 1656 Natural range separation of the Coulomb hole
    M. Via-Nadal, M. Rodriguez-Mayorga, E. Ramos-Cordoba, and E. Matito
    J. Chem. Phys. 156, 184106 (2022).
17. 1657 Does the composition in PtGe clusters play any role in fighting CO poisoning?
    A. Ugartemendia, J. M. Mercero, A. de Cozar, and E. Jimenez-Izal
    J. Chem. Phys. 156, 174301 (2022).
18. 1658 Challenges on optical printing of colloidal nanoparticles
    I. L. Violi, L. P. Martinez, M. Barella, C. Zaza, L. Chvatal, P. Zemanek, M. V. Gutierrez, M. Y. Paredes, A. F. Scarpettini, J. Olmos-Trigo, V. R. Pais, I. D. Noblega, E. Cortes, J. J. Saenz, A. V. Bragas, J. Gargiulo, and F. D. Stefani
    J. Chem. Phys. 156, 034201 (2022).
19. 1659 The contribution of intermolecular spin interactions to the Londondispersion forces between chiral molecules
    M. Geyer, R. Gutierrez, V. Mujica, J. F. R. Silva, A. Dianat, and G. Cuniberti
    J. Chem. Phys. 156, 234106 (2022).
20. 1660 Benchmarking GNOF against FCI in challenging systems in one, two, andthree dimensions
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 156, 214102 (2022).