The willingness of the 4f orbitals of lanthanide metals to participate in chemical reactions is as rare as their presence in ...

When atoms are put together to form a three-dimensional substance, the properties of the substance are governed by how quantum clouds of electrons, the orbitals, move around and interact with each ...

Researchers at HSE University and the Institute of Petrochemical Synthesis of the Russian Academy of Sciences have discovered ...

Specifically, researchers have looked at how DFT handles different types of electrons, those in the outermost "s" orbitals and the more tightly bound "d" orbitals in metals such as chromium ...

In the context of the project “Quantum Chemistry without Orbitals” funded by the Carl-Zeiss-Stiftung, Prof. Hamprecht, Prof. Dreuw and Prof. Haverkort want to use AI methods to predict the kinetic ...

Bohr's model of an atom stated that electrons move in fixed orbitals and that each orbit has a fixed energy. As per NCERT, ‘it was based on the postulate that only certain special orbits known ...

the electronic ground state of molecular oxygen has two unpaired electrons in its highest occupied molecular orbitals, and therefore it is referred to as a triplet biradical. The direct reaction ...

At Heidelberg University, an interdisciplinary research project titled “Quantum Chemistry without Orbitals” is underway, funded by over 745,0 ...