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OA期刊


刊名Chemical Physics Letters. X
出版商Elsevier
urlhttp://www.sciencedirect.com/journal/chemical-physics-letters-x
机构Elsevier



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题名作者出版年年卷期
Extension of the Lego-brick approach to protonated moleculesTerri E. Field-Theodore;Silvia Alessandrini;Mattia Melosso;Cristina Puzzarini;20252025, vol.868
Tunneling and reflection above the repulsive Coulomb barrier of fullerene dianionsBruno Concina;Christian Bordas;20252025, vol.868
Stable molecular dynamics simulations of halide perovskites from a temperature-ensemble gradient-domain machine learning approachOz Y. Mendelsohn;Michal Hartstein;Stefan Chmiela;Alexandre Tkatchenko;Leeor Kronik;20252025, vol.867
Quantitative ab initio multireference investigation of the ground and low-lying electronic states of the diatomic molecule ScVMagdalene Liosi;Aristotle Papakondylis;20252025, vol.867
Temperature programmed desorption study of pre-irradiated TiO2聽anatase in the presence of ethanol. Effect of conduction band electrons on reaction selectivityM.A. Nadeem;H. Idriss;20252025, vol.866
An enhanced Coulomb blockade description of single-molecule junctions through complex polarizabilitiesMichala D. Jensen;Ellen T. Ekstrøm;Zacharias Liasi;Kurt V. Mikkelsen;20252025, vol.866
Planar and spatial distribution of divacancies in bilayer graphene: A systematic DFT investigationAmir Hossein Aghaii;Hamed Shooshtari Gugtapeh;Abdolreza Simchi;20252025, vol.865
Tunneling splitting energy vs. tunneling rate constant: An empirical computational corroborationS.J. Rodríguez-Sotelo;S. Kozuch;20252025, vol.864
Electrochemical trifluoromethylation of imidazoles: Mechanistic insight from computationMichael Stier;Johannes Kästner;Patrick M. Becker;20252025, vol.864
Energy transfer and non-equipartition in nonlinearly coupled oscillators with Fermi resonanceShigenori Tanaka;Yoshio Okiyama;20252025, vol.864
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