Decades-old mystery solved: X-ray techniques reveal sulfur hexafluoride dissociation dynamics
An international team of scientists has unveiled new insights into the dissociation dynamics of sulfur hexafluoride (SF6) ...
AZoM on MSN11d
20 Years of Discovery: How Has the Periodic Table Changed Over Time?
The periodic table organizes chemical elements based on atomic weight, electron configurations, and chemical properties, ...
Frontiers15d
Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities
We present a general method for solving the modified Helmholtz equation without shape approximation for an arbitrary periodic charge distribution ... Typical to these all-electron DFT-methods is the ...
Frontiers16d
Efficient implementation of analytical gradients for periodic hybrid functional calculations within fitted numerical atomic orbitals from NAO2GTO
The NAO2GTO scheme provides an efficient way to evaluate the electron repulsion integrals (ERIs ... of analytical gradients of Hartree-Fock exchange (HFX) energy for periodic HSE06 calculations with ...
C&EN20d
Systematic Study of Hard-Wall Confinement-Induced Effects on Atomic Electronic Structure
Confirming previous observations, we identify electron shifts on the outermost shells ... fully numerical studies covering (a significant fraction of) the periodic table. Changes in the electronic ...
IEEE22d
Periodic phase diagrams in micromagnetics with an eigenvalue solver
Abstract: This work introduces an approach to compute periodic phase diagram of micromagnetic systems by solving a periodic linearized Landau-Lifshitz-Gilbert (LLG) equation using an eigenvalue solver ...
IFLScience1mon
Why You Can’t Combine All The Elements Of The Periodic Table In A Single Compound
The answer, at first, is boring: it’s a simple no. But the reasons why you cannot are complex and varied – some come from the chemical structure ... so their electron orbitals are in the ...
Chemistry World1mon
Celebrating 100 years of the Pauli exclusion principle
Pauli’s idea not only explained the fine details of the electronic spectra of atoms but also ultimately rationalised electron pairing in covalent bonds and made sense of the periodic table. Along with ...
C&EN8mon
Periodic Graphics
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