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Clarification of Some Bonding Concepts: Virial Theorem, Electron Pair Repulsion, and Rotational Barriers

open access: yesJournal of Computational Chemistry, Volume 46, Issue 8, 30 March 2025.
The electrons of the overlapping, basically neutral fragments do not cause electrostatic repulsion but attraction by the pulling nuclei. The Pauli‐repulsive quantum kinetic increase of the energy density in the overlapping region always leads to reactions of the geometric structure and the electronic wave function. According to the virial theorem, this
W. H. Eugen Schwarz   +2 more
wiley   +1 more source

Derived category of weak chain U -complexes. [PDF]

open access: yesHeliyon
Yuliawan F   +3 more
europepmc   +1 more source

Lorentzian bordisms in algebraic quantum field theory. [PDF]

open access: yesLett Math Phys
Bunk S, MacManus J, Schenkel A.
europepmc   +1 more source

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