Beyond Electrostatics: Anion-π<sup>+</sup> Orbital Hybridization Underpins High-Performance Chloride Storage in Poly(arylamine) Organic Cathodes. [PDF]
Adv Sci (Weinh)She T +7 more
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Dissociative ionization cross sections of isobutanol. [PDF]
Sci RepShanmugasundaram S, Gupta D.
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Exploiting correlations in multi-coincidence Coulomb explosion patterns for differentiating molecular structures using machine learning. [PDF]
Nat CommunVenkatachalam AS +5 more
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The Quantum-Volume and Bragg-Williams Equations of State. [PDF]
J Phys Chem BÅstrand PO.
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Collective Rabi-Driven Vibrational Activation in Molecular Polaritons. [PDF]
Nano LettBustamante CM +7 more
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Production of Ultracold XOH (X = Ca, Sr, Ba) Molecules by Direct Laser Cooling: A Theoretical Study Based on Accurate Ab Initio Calculations. [PDF]
MoleculesWei J +6 more
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Adsorption of Ternary Mixtures in the Presence of Multisite Occupancy: Theory and Monte Carlo Simulations. [PDF]
Entropy (Basel)Longone PJ, Ramirez-Pastor AJ.
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Anion Binding by Macrocyclic Receptors: Computational Landscape of 1:1 and 2:1 Stoichiometries. [PDF]
J Comput ChemChe M, Flood AH, Raghavachari K.
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Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory. [PDF]
J Comput ChemMortera-Carbonell AJ +3 more
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Statistical Mechanics of Linear <i>k</i>-mer Lattice Gases: From Theory to Applications. [PDF]
Entropy (Basel)Riccardo JJ +3 more
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