Buscador de publicaciones

Buscar resultados

7284 results: 7224 articles and 60 books or book chapters

1. 2081 Total Electron Detachment and Induced Cationic Fragmentation Cross Sections for Superoxide Anion (O-2(-)) Collisions with Benzene (C6H6) Molecules
   C. Guerra, S. Kumar, F. Aguilar-Galindo, S. Diaz-Tendero, A. I. Lozano, M. Mendes, J. C. Oller, P. Limao-Vieira, and G. Garcia
   Int. J. Mol. Sci. 23, 1266 (2022).
2. 2082 Algebraic Lq-norms and complexity-like properties of Jacobi polynomials:Degree and parameter asymptotics
   N. Sobrino, and J. S. Dehesa
   Int. J. Quantum Chem. 122, e26858 (2022).
3. 2083 Dehydroxylation processing and lasing properties of a Nd alumino-phosphate glass
   M. Munoz-Quinonero, J. Azkargorta, I. Iparraguirre, R. J. Jimenez-Rioboo, G. Tricot, C. Shao, F. Munoz, J. Fernandez, and R. Balda
   J. Alloy. Compd. 896, 163040 (2022).
4. 2084 Zinc glycolate Zn(OCH2CH2O): Synthesis and structure, spectral and optical properties, electronic structure and chemical bonding
   V. N. Krasil'nikov, A. P. Tyutyunnik, V. P. Zhukov, I. V. Baklanova, O. I. Gyrdasova, and E. V. Chulkov
   J. Alloy. Compd. 924, 166320 (2022).
5. 2085 A molecular dynamics study of N-A-S-H gel with various Si/Al ratios
   Y. Chen, J. S. Dolado, Z. Li, S. Yin, Q. Yu, A. Kostiuchenko, and G. Ye
   J. Am. Ceram. Soc. 105, 6462 (2022).
6. 2086 Preparation, Supramolecular Organization, and On-Surface Reactivity of Enantiopure Subphthalocyanines: From Bulk to 2D-Polymerization
   J. Labella, G. Lavarda, L. Hernandez-Lopez, F. Aguilar-Galindo, S. Diaz-Tendero, J. Lobo-Checa, and T. Torres
   J. Am. Chem. Soc. 144, 16579 (2022).
7. 2087 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).
8. 2088 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).
9. 2089 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).
10. 2090 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).
11. 2091 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).
12. 2092 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).
13. 2093 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).
14. 2094 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).
15. 2095 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).
16. 2096 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).
17. 2097 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).
18. 2098 Superconducting Li10Se electride under pressure
    X. Zhang, Y. Zhao, A. Bergara, and G. Yang
    J. Chem. Phys. 156, 194112 (2022).
19. 2099 Simple evaluation of dynamic disorder effects on exciton transport
    A. Carreras, and D. Casanova
    J. Chem. Phys. 156, 044112 (2022).
20. 2100 Adiabatic electronic flux in molecules and in condensed matter
    R. Resta
    J. Chem. Phys. 156, 204118 (2022).