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Atomic and Electronic Structure of Defects in hBN: Enhancing Single-Defect Functionalities. [PDF]

ACS Nano
Qiu Z, Vaklinova K, Huang P, Grzeszczyk M, Watanabe K, Taniguchi T, Novoselov KS, Lu J, Koperski M.   +8 more
europepmc   +1 more source

Synthesis and Photophysical Properties of AIE-Type Carbazole-Capped Triphenylmethyl Organic Radicals Featuring Non-Aufbau Electronic Structure and Enhanced Photostability. [PDF]

Molecules
Parida H, Ma F, Liu Z, Ding Z, Ablikim O.   +4 more
europepmc   +1 more source

Electronic structure of metal oxide dications with ammonia ligands and their reactivity towards the selective conversion of methane to methanol. [PDF]

Front Chem
Claveau EE, Miliordos E.
europepmc   +1 more source

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Electronic structure of coumarins

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2002
The electronic structure of coumarin derivatives has been investigated by a combination of UV photoelectron spectra (UPS), semi-empirical MO calculations and comparison with the spectra of related coumarins. The influence of substituents on the S0 and S1 electronic states energies is discussed.
Kovač, B., Novak, I.
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ChemInform Abstract: Electronic Structure of Terpenoids.

ChemInform, 2001
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Novak, I., Kobač, B., Kovačević, G.
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Electronic Structure of the Nucleobases

The Journal of Physical Chemistry B, 2005
We present a comparison between experimental and calculated soft X-ray spectra of DNA's nucleobases, adenine (A), guanine (G), cytosine (C), and thymine (T) using X-ray absorption spectroscopy (XAS) and soft X-ray emission spectroscopy (XES). Spectra of the 1s thresholds of carbon, nitrogen, and oxygen give a complete picture of the occupied and ...
MacNaughton J., Moewes A., Kurmaev E.Z.
openaire   +3 more sources

Electronic structure of MnO

Physical Review B, 1991
The electronic structure of MnO has been investigated using high-energy (x-ray photoelectron and bremsstrahlung-isochromat) spectroscopies. An experimental gap of 3.9 eV is found. By comparing the experimental results to a configuration-interaction cluster model, values for the different parameters in a model Hamiltonian are found [U=8.5 eV, DELTA = 8 ...
J. van Elp, Henk Eskes, Rolf Berger, R. Potze, George A. Sawatzky   +4 more
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Electronic structure of schwarzite [PDF]

Physical Review B, 1992
We examine the electronic structure and total energies of schwarzites (negative-curvature analogs of the fullerenes). These structures have curvature induced via the presence of seven- or eight-membered rings. Ab initio dynamical relaxations reveal that these structures are closer in energy to graphite than are the fullerenes.
Thomas J. Lenosky, Robert A. Phillips, David A. Drabold, Otto F. Sankey, G. B. Adams   +4 more
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Electrons in Disordered Structures

Advances in Physics, 1967
(1967). Electrons in disordered structures. Advances in Physics: Vol. 16, No. 61, pp. 49-144.
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