Article-Journal

Front Cover: Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer (Chem. Eur. J. 71/2020)
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Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators
AbstractAs approximations to the wave functions governing quantum chemical systems become more and more complex, it is becoming …
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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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