Results 81 to 90 of about 1,518 (208)
A sharp form of the Virial theorem [PDF]
Bulletin of the American Mathematical Society, 1964 The virial theorem (for Newtonian gravitation) is usually proved with the assumption that the system is bounded. Here it is pointed out that this is a sufficient condition but not a necessary one and it is proved that a necessary and sufficient one is that the greatest distance between any two particles should be \(o(t)\) as \(t\to\infty\).
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Journal of Polymer Science, Volume 63, Issue 15, Page 3005-3022, 1 August 2025.ABSTRACT In this work, we systematically investigate the impact of counterion size on the behavior of star‐shaped strong polyelectrolytes in dilute aqueous solutions using Langevin simulations and a primitive model of electrolytes. Varying both the counterion diameter and the number of arms of the polyelectrolyte, we demonstrate that both ...
Andrea Tagliabue, Massimo Mella
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ChemistrySelect, Volume 10, Issue 30, August 8, 2025.Supramolecular contacts responsible for the mechanism of action of epothilone A chemotherapeutic drug in the taxane pocket of the β‐tubulin are addressed, combining quantum theory of atoms in molecules with density functional theory. We also derive the conformational shaping and the electronic eigenstates involved in photopharmacology experiments of ...
Costantino Zazza +3 more
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New Journal of Physics, 2020 The ground state solution of hydrogen molecule and ions are numerically obtained as an application of our scheme to solve many-electron multi-center potential Schrödinger equation by using one-dimensional hydrogen wavefunctions as basis functions.
Yanoar Pribadi Sarwono +2 more
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XV. On a theorem analogous to the virial theorem [PDF]
The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, 1900 (1900). XV. On a theorem analogous to the virial theorem. The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Vol. 50, No. 303, pp. 210-213.
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Molecular Simulations of Fluid Interfaces
WIREs Computational Molecular Science, Volume 15, Issue 4, July/August 2025.Left: A molecular simulation snapshot of a fluid–fluid interface. Right: The equations and neural network diagram indicate that interactions in such molecular systems can be modeled using quantum Hamiltonians, classical force fields, or neural network potentials.
Chung Chi Chio +3 more
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On the Virial Theorem for Interstellar Medium [PDF]
, 2007 An attempt has been made to derive a version of the virial integral that would describe average properties of the interstellar medium (ISM). It is suggested to eliminate the (large) contribution of stellar matter by introducing 'exclusion zones ...
Ryutov, D.
core
A Modification Of Koopmans' Theorem By Imposition Of The Virial Theorem In Molecules
, 2015 Imposition of the virial theorem on Koopmans' theorem permits the introduction of some relaxation effect in the electronic cloud of atomic (less than 5%) or molecular (less than 1.3% for the systems studied) systems and a partitioning of the ionization ...
Takahata Y., Custodio R.
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Modified virial theorem for highly magnetized white dwarfs
, 2020 Generally the virial theorem provides a relation between various components of energy integrated over a system. This helps us to understand the underlying equilibrium. Based on the virial theorem we can estimate, for example, the maximum allowed magnetic
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Pekar bipolaron and the virial theorem (arbitrary coupling)
, 2014 The work is devoted to issues related with implementation of the virial theorem for one-center bipolaron. The virial theorem expressions have been obtained for an electron system with Coulomb interactions in the phonon field.
Kashirina, N.I.
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