Results 31 to 40 of about 36,506 (166)
Aromatic character of planar boron-based clusters revisited by ring current calculations [PDF]
, 2016 The planarity of small boron-based clusters is the result of an interplay between geometry, electron delocalization, covalent bonding and stability. These compounds contain two different bonding patterns involving both sigma and pi delocalized bonds, and
Havenith, Remco +3 more
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The Green’s function for the Hückel (tight binding) model [PDF]
, 2018 Applications of the Huckel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix representation of this model is isomorphic to an unoriented vertex adjacency matrix of a bipartite graph, which is also the Laplacian
Hoffmann, Roald +3 more
core +1 more source
Feasible Nanometric Magnetoresistance Devices [PDF]
, 2004 The electrical conductance through a ring is sensitive to the threading magnetic flux. It contains a component that is periodic with an Aharonov-Bohm (AB) period equal to the quantum flux. In molecular/atomic loops on the nanometer scale, encircling very
Baer, Roi, Hod, Oded, Rabani, Eran
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The Hückel total p-electron energy puzzle [PDF]
Journal of the Serbian Chemical Society, 2006 In spite of being based on drastic simplifications, the Hückel molecular orbital (HMO) quantum-mechanical model provides a reasonably good description of the properties of p-electrons in conjugated molecules.
MILJENKO PERIC +2 more
doaj
Poly-p-hydroquinone Ethers: Isoenergetic Molecular Wires with Length-Invariant Oxidation Potentials and Cation Radical Excitation Energies [PDF]
, 2017 Typical poly-p-phenylene wires are characterized by strong interchromophoric electronic coupling with redox and optical properties being highly length-dependent.
Chebny, Vincent J. +3 more
core +5 more sources
Magnetic Fields Effects on the Electronic Conduction Properties of Molecular Ring Structures
, 2011 While mesoscopic conducting loops are sensitive to external magnetic fields, as seen by observations of the Aharonov-Bohm (AB) effect in such structures, the field needed to observe the AB periodicity in small molecular rings is unrealistically large ...
Hod, Oded, Nitzan, Abraham, Rai, Dhurba
core +1 more source
Constructing NSSD molecular graphs [PDF]
, 2016 A graph is said to be non-singular if it has no eigenvalue equal to zero; otherwise it is singular. Molecular graphs that are non-singular and also have the property that all subgraphs of them obtained by deleting a single vertex are themselves singular,
Farrugia, Alexander +3 more
core +2 more sources
A review of quantum collision dynamics in Debye plasmas
, 2016 Hot, dense plasmas exhibit screened Coulomb interactions, resulting from the collective effects of correlated many-particle interactions. In the lowest particle correlation order (pair-wise correlations), the interaction between charged plasma particles ...
Janev, R. K. +2 more
core +2 more sources
A new approach to the method of source-sink potentials for molecular conduction [PDF]
, 2015 We re-derive the tight-binding source-sink potential (SSP) equations for ballistic conduction through conjugated molecular structures in a form that avoids singularities.
Barry T. Pickup +8 more
core +1 more source
, 2021 The Hückel method is an old fashion method to predict the molecular orbital and energies of electrons in a conjugated molecule. Although Hückel's theory's approximations are relatively crude, its general results are still reasonable compared to the ...
Y. Anggraini, I. Sutjahja
semanticscholar +1 more source