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7378 results: 7318 articles and 60 books or book chapters
Last updated: 2026/10/05-
2181
Steric Hindrance of NH3 Diffusion on Pt(111) by Co-Adsorbed O-Atoms
D. Borodin, O. Galparsoro, I. Rahinov, J. Fingerhut, M. Schwarzer, S. Horandl, D. J. Auerbach, A. Kandratsenka, D. Schwarzer, T. N. Kitsopoulos, and A. M. Wodtke
J. Am. Chem. Soc. 144, 21791 (2022). -
2182
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). -
2183
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). -
2184
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). -
2185
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). -
2186
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). -
2187
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). -
2188
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). -
2189
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). -
2190
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). -
2191
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). -
2192
Superconducting Li10Se electride under pressure
X. Zhang, Y. Zhao, A. Bergara, and G. Yang
J. Chem. Phys. 156, 194112 (2022). -
2193
Simple evaluation of dynamic disorder effects on exciton transport
A. Carreras, and D. Casanova
J. Chem. Phys. 156, 044112 (2022). -
2194
Adiabatic electronic flux in molecules and in condensed matter
R. Resta
J. Chem. Phys. 156, 204118 (2022). -
2195
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). -
2196
The nature of the polar covalent bond
L. Zhao, S. Pan, and G. Frenking
J. Chem. Phys. 157, 034105 (2022). -
2197
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). -
2198
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). -
2199
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). -
2200
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).