Article-Journal

Interacting Quantum Atoms—A Review
The aim of this review is threefold. On the one hand, we intend it to serve as a gentle introduction to the Interacting Quantum Atoms …
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Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions
AbstractThe kinetic energy is the center of a controversy between two opposite points of view about its role in the formation of a …
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Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer
AbstractThe development of chemical intuition in photochemistry faces several difficulties that result from the inadequacy of the …
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SARS-CoV-2 Main Protease: A Molecular Dynamics Study
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A chemical theory of topological insulators
Research on topological insulators has experienced an exponential growth in the last few years. An easy to grasp understanding of their …
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A first step towards quantum energy potentials of electron pairs
A first step towards the construction of a quantum force field for electron pairs in direct space is taken.
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Affinity Calculations of Cyclodextrin Host–Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods
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Anti-ohmic single molecule electron transport: is it feasible?
Feasibility of anti-ohmic transport in the ground state of molecular wires, intrinsically related to superexchange, is called into …
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Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation
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Electron-pair bonding in real space. Is the charge-shift family supported?
Charge-shift bonding (CSB) has been introduced as a distinct third family of electron-pair links that adds to the covalent and ionic …
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