نتایج جستجو برای: electron detachment

تعداد نتایج: 321826  

Journal: :Physical chemistry chemical physics : PCCP 2006
John M Herbert Martin Head-Gordon

Vertical electron detachment energies (VDEs) are calculated for a variety of (H(2)O)(n)(-) and (HF)(n)(-) isomers, using different electronic structure methodologies but focusing in particular on a comparison between second-order Møller-Plesset perturbation theory (MP2) and coupled-cluster theory with noniterative triples, CCSD(T). For the surface-bound electrons that characterize small (H(2)O)...

A. Nouri I. Sharifpour, M. Soltani M.D. Hassan R. Pourgholam S. Akbari

Histopathological effects of different sublethal concentrations (1, 2 and 4 mg/l) of diazinon, an organophosphorus pesticide, on gill, liver, spleen and kidney of grass carp (Ctenopharyngodon idella) were studied after 1, 7, 15, 30 and 45 days post-exposing fishes weighting 850 ± 155 g to the toxicant for 12 hours at 18-22ºC. In addition, tissues of nostril were examined for transmission electr...

A. Nouri, I. Sharifpour, M. Soltani, M.D. Hassan, R. Pourgholam, S. Akbari,

Histopathological effects of different sublethal concentrations (1, 2 and 4 mg/l) of diazinon, an organophosphorus pesticide, on gill, liver, spleen and kidney of grass carp (Ctenopharyngodon idella) were studied after 1, 7, 15, 30 and 45 days post-exposing fishes weighting 850 ± 155 g to the toxicant for 12 hours at 18-22ºC. In addition, tissues of nostril were examined for transmi...

1998
J. Schiedt R. Weinkauf D. M. Neumark E. W. Schlag

In this work we investigate different forms of electron binding in the mass-selected and cooled nucleobases uracil, thymine and cytosine and their water clusters. In photodetachment–photoelectron spectra of the pyrimidine nucleobases, Ž . Ž . Ž . sharp structures were found at 86"8 meV uracil , 62"8 meV thymine and 85"8 meV cytosine , which are due to photodetachment of dipole-bound states. The...

F. Khorsandi, M. Loghavi S. Kamgar,

The aim of this study was to determine the most suitable shaking frequency and amplitude for shake harvesting Esfahan's edible fig (Ficus carica cv. Sabz). A hand held limb shaker with adjustable shaking frequency and amplitude was used for this study. A 3x3 factorial experiment with three levels of oscillating frequency (10, 12 and 14 Hz) and three levels of shaking amplitude (20, 32.5 and 45 ...

Journal: :Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 2018
Andrew W King Adam L Baskerville Hazel Cox

An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapid...

2008
Jeremy J. Wolff Tatiana N. Laremore Alexander M. Busch Robert J. Linhardt Jonathan Amster

Electron detachment dissociation (EDD) Fourier transform mass spectrometry has recently been shown to be a useful method for tandem mass spectrometry analysis of sulfated glycosaminoglycans (GAGs). EDD produces abundant glycosidic and cross-ring fragmentations that are useful for localizing sites of sulfation in GAG oligosaccharides. Although EDD fragmentation can be used to characterize GAGs i...

1997
Maciej Gutowski Piotr Skurski

It has long been assumed that stability of “solvated electrons” and dipole-bound anions results primarily from the static Coulomb interaction of an excess electron with charge distribution of the neutral molecular host. Our results indicate, however, that the dispersion interaction between the loosely bound electron and the neutral molecular host is as important as the static Coulomb stabilizat...

2004
Xin Yang Boggavarapu Kiran Xue-Bin Wang Lai-Sheng Wang Pavel Jungwirth

We report a photoelectron spectroscopy and computational study of hydrated N3 anion clusters, N3(H2O)n (n ) 0-16), in the gas phase. Photoelectron spectra of the solvated azide anions were observed to consist of a single peak, similar to that of the bare N3, but the spectral width was observed to broaden as a function of cluster size due to solvent relaxation upon electron detachment. The adiab...

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