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7309 results: 7249 articles and 60 books or book chapters

Last updated: 2026/08/12
  1. Scientific article 2121 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).
  2. Scientific article 2122 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).
  3. Scientific article 2123 Superconducting Li10Se electride under pressure
    X. Zhang, Y. Zhao, A. Bergara, and G. Yang
    J. Chem. Phys. 156, 194112 (2022).
  4. Scientific article 2124 Simple evaluation of dynamic disorder effects on exciton transport
    A. Carreras, and D. Casanova
    J. Chem. Phys. 156, 044112 (2022).
  5. Scientific article 2125 Adiabatic electronic flux in molecules and in condensed matter
    R. Resta
    J. Chem. Phys. 156, 204118 (2022).
  6. Scientific article 2126 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).
  7. Scientific article 2127 The nature of the polar covalent bond
    L. Zhao, S. Pan, and G. Frenking
    J. Chem. Phys. 157, 034105 (2022).
  8. Scientific article 2128 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).
  9. Scientific article 2129 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).
  10. Scientific article 2130 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).
  11. Scientific article 2131 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).
  12. Scientific article 2132 Benchmarking GNOF against FCI in challenging systems in one, two, andthree dimensions
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 156, 214102 (2022).
  13. Scientific article 2133 Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
    M. Choluj, M. M. Alam, M. T. P. Beerepoot, S. P. Sitkiewicz, E. Matito, K. Ruud, and R. Zalesny
    J. Chem. Theory Comput. 18, 1046 (2022).
  14. Scientific article 2134 Statistical thermodynamics in reversible clustering of gold nanoparticles. A first step towards nanocluster heat engines
    S.A. Mezzasalma, J. Kruse, A.I. Ibarra, A. Arbe, Arantxa and M. Grzelczak
    J. Colloid Interface Sci. 628, 205 (2022).
  15. Scientific article 2135 A study of the performance of classical minimizers in the Quantum Approximate Optimization Algorithm
    M. Fernandez-Pendas, E. F. Combarro, S. Vallecorsa, J. Ranilla, and I. F. Rua
    J. Comput. Appl. Math. 404, 113388 (2022).
  16. Scientific article 2136 The second derivative of the electronic energy with respect to the compression scaling factor in the XP-PCM model: Theory and applications to compression response functions of atoms
    R. Cammi, and B. Chen
    J. Comput. Chem. 43, 1176 (2022).
  17. Scientific article 2137 Statistics of biased tracers in variance-suppressed simulations
    F. Maion, R. E. Angulo, and M. Zennaro
    J. Cosmol. Astropart. Phys. 10, 036 (2022).
  18. Scientific article 2138 DEMNUni: comparing nonlinear power spectra prescriptions in the presence of massive neutrinos and dynamical dark energy
    G. Parimbelli, C. Carbone, J. Bel, B. Bose, M. Calabrese, E. Carella, and M. Zennaro
    J. Cosmol. Astropart. Phys. 11, 041 (2022).
  19. Scientific article 2139 Precursor synthesis and properties of iron and lithium co-doped cadmium oxide
    V. Krasil'nikov, V. Zhukov, E. Chulkov, A. Tyutyunnik, T. Dyachkova, I. Baklanova, O. Gyrdasova, N. Zhuravlev, V. Chistyakov, T. Gao, M. Eisterer, and V. Marchenkov
    J. Electroceram. 48, 127 (2022).
  20. Scientific article 2140 Reassessment of thermochemical energy storage in perovskite-like manganites at comparative studies of RP SrCa3Mn3O10-d vs. orthorhombic Sr0.25Ca0.75MnO3-d
    E. A. Antipinskaya, B. V. Politov, S. A. Petrova, V. P. Zhukov, E. V. Chulkov, A. Y. Suntsov, and V. L. Kozhevnikov
    J. Energy Storage 53, 105175 (2022).
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