Search publications

Search results

7161 results: 7118 articles and 43 books or book chapters

1. 1961 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).
2. 1962 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).
3. 1963 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).
4. 1964 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).
5. 1965 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).
6. 1966 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).
7. 1967 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).
8. 1968 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).
9. 1969 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).
10. 1970 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).
11. 1971 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).
12. 1972 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).
13. 1973 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).
14. 1974 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).
15. 1975 Superconducting Li10Se electride under pressure
    X. Zhang, Y. Zhao, A. Bergara, and G. Yang
    J. Chem. Phys. 156, 194112 (2022).
16. 1976 Simple evaluation of dynamic disorder effects on exciton transport
    A. Carreras, and D. Casanova
    J. Chem. Phys. 156, 044112 (2022).
17. 1977 Adiabatic electronic flux in molecules and in condensed matter
    R. Resta
    J. Chem. Phys. 156, 204118 (2022).
18. 1978 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).
19. 1979 The nature of the polar covalent bond
    L. Zhao, S. Pan, and G. Frenking
    J. Chem. Phys. 157, 034105 (2022).
20. 1980 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).