chemical bonds, an orbital overlap is the concentration of orbitals on adjacent atoms in the same regions of space. Orbital overlap can lead to bond formation...

orbital on one atom overlap with two lobes of an orbital on another atom, and in which this overlap occurs laterally. Each of these atomic orbitals has...

region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary...

rewriting systems Overlap add, an efficient convolution method using FFT Overlap coefficient, a similarity measure between sets Orbital overlap, important concept...

In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies,...

molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory...

involved atomic orbital overlap six lobes of the other involved atomic orbital. This overlap leads to the formation of a bonding molecular orbital with three...

because p-orbital overlap is maximized. 2 sp2 orbitals (total of 3 such orbitals) approach to form a sp2-sp2 sigma bond Two p-orbitals overlap to form a...

orbital overlap population), COHP (Crystal orbital Hamilton population), and BCOOP (Balanced crystal orbital overlap population). To overcome this issue, an...

In quantum mechanics, an atomic orbital (/ˈɔːrbɪtəl/ ) is a function describing the location and wave-like behavior of an electron in an atom. This function...

These stabilities occur because of a partial overlap between the C–Si σ orbital and the σ* antibonding orbital at the β position, lowering the SN reaction...

molecular orbital analysis as follows: In an open-chain system containing 4n π electrons, the orbital symmetry of the highest occupied molecule orbital is such...

molecular orbital theory, proposed by Erich Hückel in 1930, is a simple method for calculating molecular orbitals as linear combinations of atomic orbitals. The...

single spherical lobe of a hydrogen 1s orbital). Each atomic orbital contributes one electron when the orbitals overlap pairwise to form two-electron σ bonds...

band structures, total and projected density of states, and crystal orbital overlap/Hamilton populations (COOPs/COHPs). Erich Hückel Roald Hoffmann Hoffmann...

occurs due to the orbital overlap between the alkene and the allylic enophile. The electrons in the highest occupied molecular orbital (HOMO) of the ene...

well-defined, localized interactions with significant charge transfer and orbital overlap, such as those in DNA base pairing or ice. In contrast, "hydrogen-bonding...

symmetry allowed. This is because only in these cases would maximum orbital overlap occur in the transition state. Also, the formed product would be in...

an HF molecule the covalent bond is formed by the overlap of the 1s orbital of H and the 2pz orbital of F, each containing an unpaired electron. Mutual...

more electron donating groups. This results in higher orbital energies, and thus more orbital overlap with the LUMO of the diene. Common classes of dieneophiles...

prediction of reactivity, but more factors such as connectivity, atomic orbital overlap, solvent effects, and the addition of supporting reagents can affect...

from the s-orbital overlap of the two metals. The bonding interaction that occurs may be connected to the highest occupied molecular orbital (HOMO), giving...

mainly because of the relatively poor orbital overlap of the substituent's 3p (or higher) orbital with the 2p orbital of the carbon. Due to a stronger resonance...

orbitals, while the corresponding "nonbonding" orbitals of carbenes are generally treated as a filled σ(out) orbital and an unfilled pure p orbital,...

pi interactions between the pi bonds of aromatic rings, because of orbital overlap. According to some authors direct stacking of aromatic rings (the "sandwich...

and/or transition states of molecules that arise from considerations of orbital overlap. Thus, a stereoelectronic effect explains a particular molecular property...

C−H σ orbital is a better electron donor than the C−F σ orbital, while the C−F σ* orbital is a better electron acceptor than the C−H σ* orbital. Only...

to be omitted from the names. Cycloalkenes require considerable p-orbital overlap in the form of a bridge between the carbon-carbon double bond; however...

molecular orbital is best characterized by that type. This method of quantifying orbital contribution as a linear combination of atomic orbitals is used...

the carbon–hydrogen σ orbital is a better electron donor than the carbon–fluorine σ orbital, while the carbon–fluorine σ* orbital is a better electron...