MNDO calculation for the normal modes of 1,2-dichloro- and 1,2-dibromoethane radical-anions

1990 ◽  
Vol 39 (9) ◽  
pp. 1969-1970
Author(s):  
�. D. German ◽  
V. A. Tikhomirov
Keyword(s):  
Normal Modes ◽  
Radical Anions ◽  
Mndo Calculation

Filtering methods for finite-time normal modes and atmospheric error growth

2000 ◽  
Vol 42 ◽  
pp. 1482
Author(s):  
Mozheng Wei ◽  
Jorgen S. Frederiksen ◽  
Steve Kepert
Keyword(s):  
Finite Time ◽  
Normal Modes ◽  
Error Growth

Photolytic and thermal annealing of radical anions gamma-irradiated monocarboxylic acids

1979 ◽  
Vol 44 (12) ◽  
pp. 3632-3643 ◽  
Author(s):  
Karel Mach ◽  
Igor Janovský ◽  
Karel Vacek
Keyword(s):  
Thermal Annealing ◽  
Pivalic Acid ◽  
Esr Spectra ◽  
Paramagnetic Species ◽  
Radical Anions ◽  
Γ Irradiation ◽  
Before And After ◽  
Optical Bleaching ◽  
The Difference ◽  
Gamma Irradiated

Total yields of paramagnetic species, their optical bleaching and thermal annealing in acetic, propionic, a-butyric, isobutyric, and pivalic acid γ-irradiated at 77 K were followed by ESR spectroscopy. Radical anions, always found after irradiation, disappear during optical bleaching without formation of any paramagnetic product. During thermal annealing they are converted almost quantitatively into the α-radicals of the respective acid, with the exception of pivalic acid. Amounts of radical anions were estimated from the difference of integrated ESR spectra taken before and after optical bleaching. The results show that approximately equal amounts of the reduction and oxidation paramagnetic products of the γ-irradiation can be detected.

Stability of radical anions derived from substituted 5-nitrofurans investigated by ESR spectroscopy

1985 ◽  
Vol 50 (7) ◽  
pp. 1594-1601 ◽  
Author(s):  
Jiří Klíma ◽  
Larisa Baumane ◽  
Janis Stradinš ◽  
Jiří Volke ◽  
Romualds Gavars
Keyword(s):  
Radical Anion ◽  
High Stability ◽  
Esr Spectroscopy ◽  
Reaction Path ◽  
Order Reaction ◽  
Second Order ◽  
Radical Anions ◽  
Second Order Reaction ◽  
Unpaired Electron Density ◽  
The Stability

It has been found that the decay in dimethylformamide and dimethylformamide-water mixtures of radical anions in five of the investigated 5-nitrofurans is governed by a second-order reaction. Only the decay of the radical anion generated from 5-nitro-2-furfural III may be described by an equation including parallel first- and second-order reactions; this behaviour is evidently caused by the relatively high stability of the corresponding dianion, this being an intermediate in the reaction path. The presence of a larger conjugated system in the substituent in position 2 results in a decrease of the unpaired electron density in the nitro group and, consequently, an increase in the stability of the corresponding radical anions.

Gravitational Waves

2018 ◽  
Author(s):  
Michele Maggiore
Keyword(s):  
Black Hole ◽  
Perturbation Theory ◽  
Gravitational Waves ◽  
Transfer Functions ◽  
Normal Modes ◽  
Cosmological Perturbation ◽  
Tests Of General Relativity ◽  
Pulsar Timing ◽  
Tensor Perturbations ◽  
Stochastic Backgrounds

A comprehensive and detailed account of the physics of gravitational waves and their role in astrophysics and cosmology. The part on astrophysical sources of gravitational waves includes chapters on GWs from supernovae, neutron stars (neutron star normal modes, CFS instability, r-modes), black-hole perturbation theory (Regge-Wheeler and Zerilli equations, Teukoslky equation for rotating BHs, quasi-normal modes) coalescing compact binaries (effective one-body formalism, numerical relativity), discovery of gravitational waves at the advanced LIGO interferometers (discoveries of GW150914, GW151226, tests of general relativity, astrophysical implications), supermassive black holes (supermassive black-hole binaries, EMRI, relevance for LISA and pulsar timing arrays). The part on gravitational waves and cosmology include discussions of FRW cosmology, cosmological perturbation theory (helicity decomposition, scalar and tensor perturbations, Bardeen variables, power spectra, transfer functions for scalar and tensor modes), the effects of GWs on the Cosmic Microwave Background (ISW effect, CMB polarization, E and B modes), inflation (amplification of vacuum fluctuations, quantum fields in curved space, generation of scalar and tensor perturbations, Mukhanov-Sasaki equation,reheating, preheating), stochastic backgrounds of cosmological origin (phase transitions, cosmic strings, alternatives to inflation, bounds on primordial GWs) and search of stochastic backgrounds with Pulsar Timing Arrays (PTA).

Triatomic molecules

2018 ◽  
Author(s):  
John H. D. Eland ◽  
Raimund Feifel
Keyword(s):  
Degrees Of Freedom ◽  
Normal Modes ◽  
Electronic States ◽  
Triatomic Molecules ◽  
Doubly Charged Ions ◽  
Spectral Bands ◽  
Valence Electrons ◽  
Doubly Charged ◽  
Charged Ions ◽  
Double Ionisation

Double ionisation of the triatomic molecules presented in this chapter shows an added degree of complexity. Besides potentially having many more electrons, they have three vibrational degrees of freedom (three normal modes) instead of the single one in a diatomic molecule. For asymmetric and bent triatomic molecules multiple modes can be excited, so the spectral bands may be congested in all forms of electronic spectra, including double ionisation. Double photoionisation spectra of H2O, H2S, HCN, CO2, N2O, OCS, CS2, BrCN, ICN, HgCl2, NO2, and SO2 are presented with analysis to identify the electronic states of the doubly charged ions. The order of the molecules in this chapter is set first by the number of valence electrons, then by the molecular weight.

Magnetostructural relationships in [Ni(dmit)2] − radical anions

2021 ◽  
Author(s):  
Jhon Enrique Zapata Rivera ◽  
Carmen J. Calzado
Keyword(s):  
Magnetic Properties ◽  
Radical Anions ◽  
The Relationship

This work explores the relationship between the magnetic properties of salts based on the [Ni(dmit)2]− radicals and the different arrangement that these radicals can adopt in the crystals, induced by...

scholarly journals Photoelectron spectroscopy of anthracene and fluoranthene radical anions

2018 ◽  
Vol 148 (23) ◽  
pp. 234306 ◽  
Author(s):  
Steven J. Kregel ◽  
Glen K. Thurston ◽  
Etienne Garand
Keyword(s):  
Photoelectron Spectroscopy ◽  
Radical Anions
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