Search results
Results from the WOW.Com Content Network
Detailed analysis of data from the Cassini spacecraft gives a value of the moment of inertia of Saturn that is just outside the range for the resonance to exist, meaning that the spin axis does not stay in phase with Neptune's orbital inclination in the long term, as it apparently did in the past. One theory for why the resonance came to an end ...
The orbital wave functions are positive in the red regions and negative in the blue. The right column shows virtual MO's which are empty in the ground state, but may be occupied in excited states. In chemistry, a molecular orbital (/ ɒr b ə d l /) is a mathematical function describing the location and wave-like behavior of an electron in a ...
Founded on a few general principles that govern how orbitals interact, the stereoelectronic effect, along with the steric effect, inductive effect, solvent effect, mesomeric effect, and aromaticity, is an important type of explanation for observed patterns of selectivity, reactivity, and stability in organic chemistry. In spite of the ...
Similar to the electron spin resonance (ESR) in which electrons can be excited with an electromagnetic wave with the energy given by the Zeeman effect, in EDSR the resonance can be achieved if the frequency is related to the energy band splitting given by the spin–orbit coupling in solids. While in ESR the coupling is obtained via the ...
In quantum chemistry, a natural bond orbital or NBO is a calculated bonding orbital with maximum electron density.The NBOs are one of a sequence of natural localized orbital sets that include "natural atomic orbitals" (NAO), "natural hybrid orbitals" (NHO), "natural bonding orbitals" (NBO) and "natural (semi-)localized molecular orbitals" (NLMO).
In organic chemistry, hyperconjugation (σ-conjugation or no-bond resonance) refers to the delocalization of electrons with the participation of bonds of primarily σ-character. Usually, hyperconjugation involves the interaction of the electrons in a sigma (σ) orbital (e.g. C–H or C–C) with an adjacent unpopulated non-bonding p or ...
For instance, the lone pairs of water are usually treated as two equivalent sp x hybrid orbitals, while the corresponding "nonbonding" orbitals of carbenes are generally treated as a filled σ(out) orbital and an unfilled pure p orbital, even though the lone pairs of water could be described analogously by filled σ(out) and p orbitals (for ...
In computational chemistry, natural resonance theory (NRT) is an iterative, variational functional embedded into the natural bond orbital (NBO) program, commonly run in Gaussian, GAMESS, ORCA, Ampac and other software packages.