π-Electronic systems are molecular structures with delocalized π-electrons, arising from the overlapping of π-orbitals in conjugated ... There are no conflicts of interest to declare.

The frontier molecular orbitals include the lowest unoccupied molecular orbital ... and C-N single bonds of the compound (1.3921 Å) are shorter than C-NO 2 of TATB (1.4366 Å). The bond lengths of the ...

molecular, solid-state and nuclear physics, chemistry and materials science. The topics covered are Feynman diagram rules, microscopic mean-field theories (Hartree-Fock and Kohn-Sham theories, natural ...

Researchers at Ruhr University Bochum, Germany, have shed light on the structure of supercritical water. In this state, which ...

For decades, researchers have explored how electrons behave in quantum materials. Under certain conditions, electrons ...

A hidden quantum wave may keep particles moving, even when everything else freezes. Researchers discovered that phasons, a ...

Yes! I want to get the latest chemistry news from C&EN in my inbox every week. ACS values your privacy. By submitting your information, you are gaining access to C&EN and subscribing to our weekly ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Despite the profound impact of Computational Chemistry (CC) on chemical research and ...

This capability is rooted in the selective interaction of CP light with the stereogenic (non-superimposable) molecular geometry of chiral substances ... the segregated BN molecules formed microneedles ...

Antibodies have become the Swiss Army tool for molecular biology and nanotechnology. Their outstanding ability to specifically recognise molecular antigens allows their use in many different ...