Results 281 to 290 of about 13,953,648 (316)

Electronic spreadsheet structures

Computers & Operations Research, 1989
Application de graphes orientes pour la representation de structures de type tableur, utilisees dans la resolution de problemes numeriques par des methodes ...
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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.
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Electronic structure of ScN

Physical Review B, 1986
The optical reflectivity has been measured over more than four decades of photon energy on chemically well-defined single crystals of ScN, in addition to the electrical conductivity and the Hall effect. From a Kramers-Kronig analysis the dielectric functions have been derived.
G. Travaglini, R. Monnier, E. Kaldis, P. Wachter, MARABELLI, FRANCO   +4 more
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Electronic Structure of Thymine

The Journal of Chemical Physics, 1970
The electronic structures of the ground and low-lying excited states of thymine and the anions 1-HT− and 3-HT−, derived by removing a proton from nitrogen atom N3 and N1, respectively, have been described by all-electron all-integral LCAO–SCF calculations using Gaussian basis functions.
L C, Snyder, R G, Shulman, D B, Neumann
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Electronic structure of MnO

Physical Review B, 1990
We have studied the electronic structure of MnO by photoemission spectroscopy. Mn 3d--derived emission is found to be confined within \ensuremath{\sim}10 eV of the top of the valence band, and we find no evidence for an intrinsic satellite at higher binding energies.
, Fujimori, , Kimizuka, , Akahane, , Chiba, , Kimura, , Minami, , Siratori, , Taniguchi, , Ogawa, , Suga   +9 more
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Electronic structure of rhodium

Physical Review B, 1988
Local-density, all-electron, self-consistent energy-band calculations are reported for face-centered-cubic rhodium. The Fermi surface is obtained; charge form factors, the Compton profile, and the optical conductivity are determined. Results are compared with other calculations and with experiment where these exist.
, Tripathi, , Brener, , Callaway
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Structure of the aqueous electron

Physical Chemistry Chemical Physics, 2019
A cavity or excluded-volume structure best explains the experimental properties of the aqueous or “hydrated” electron.
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Enolate Structure and Electron Affinity

The Journal of Physical Chemistry A, 2005
Photodetachment cross sections for a series of cyclic enolates were measured using a continuous wave (CW) ion cyclotron resonance instrument to generate and detect the ions. We report electron affinities for the radicals corresponding to the removal of the extra electron from the following anions: 2-methylcyclopent-1-enolate, 3-methylcyclopent-1 ...
D.A. Walthall (1), J. M. Karty (2), B. Romer (1), O, Ursini (3), J.I. Brauman (1)   +5 more
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Electronic structure and bonding in hydroxocobalamin

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2005
The electronic structure of hydroxocobalamin (OHCbl) has been calculated by a density functional method, using the orthogonalized linear combination of the atomic orbitals method (OLCAO). The X-ray crystal structure has been determined from synchrotron X-ray diffraction data and the geometry determined was used in the calculations.
L. OUYANG, P. RULIS, W. Y. CHING, M. SLOUF, G. NARDIN, RANDACCIO, LUCIO   +5 more
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Electronic Structure Methods for the Description of Nonadiabatic Effects and Conical Intersections

Chemical Reviews, 2021
Spiridoula Matsika
exaly