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Vibrational study of polyamine copper(II) complexes. Infrared spectra and normal coordinate analysis of mono(diethylenetriamine)copper(II) complex ions
(1992)
The results of an investigation of the infrared spectra of mono(diethylenetriamine)copper(II) compounds are reported, with particular reference to the low-energy region. Most assignments are based on the available literature. ...
A comparison of semiempirical and ab initio methods for calculating the electronic structure of C60 and C70 fullerenes
(2003)
The aim of this work is to find a method suitable at least for obtaining the isolated molecule band structure approximated by a Gaussian broadening of the discrete eigenvalues, to apply it for a first scan of bigger and ...
Theoretical study of bismuth-doped CdTe
(IOP Publishing, 2018)
The electronic structure and thermodynamic properties of bismuth impurities in cadmium telluride (CdTe) are studied by means density functional theory calculations. The exchange and correlation are treated using the hybrid ...
Phthalocyanoiron complex with bridged ligands. Electronic structure of monomers and polymers
(JOHN WILEY & SONS INC, 2001-04-15)
Electronic structure aspects related to the semiconducting properties of monomers and polymers of phythalocyanoiron with bidentate bridging ligands, PcFe-L-2 and -[PcFe(L)](n), have been investigated from density functional ...
Phthalocyanoruthenium complexes and polymers with bridged ligands
(Elsevier, 2002)
Electronic properties related to the semiconductivity of monomers and polymers of phthalocyanoruthenium with bidentate bridging ligands, [PcRu(L2)] and [PcRu(L)]n, have been investigated from density functional calculations ...
Metallomacrocycle (MacM) complex with cyanide as bridged ligand: Electronic structures of [MacMCN](n)
(JOHN WILEY & SONS INC, 2002-03-15)
The electronic structures of complexes and one-dimensional metallomacrocycles with cyanide as bridged ligand, such as [MacM(CN)(2)](-) and [MacM(CN)](n) [Mac = phthalocyanine, tetrabenzoporphyrine; M = Co(III), Rh(III)] ...
Antiferromagnetic magnonic crystals
(Amer Physical Soc, 2015)
We describe the features of magnonic crystals based upon antiferromagnetic elements. Our main results are that with a periodic modulation of either magnetic fields or system characteristics, such as the anisotropy, it is ...
The Standardizability of Type Ia Supernovae in the Near-Infrared: Evidence for a Peak-Luminosity Versus Decline-Rate Relation in the Near-Infrared
(UNIV CHICAGO PRESS, 2012-02)
We analyze the standardizability of Type Ia supernovae (SNe Ia) in the near-infrared (NIR) by investigating the correlation between observed peak NIR (Y JH) absolute magnitude and postmaximum B-band decline rate [Delta ...
Cross-frequency interaction of the eye-movement related LFP signals in V1 of freely viewing monkeys
(2013)
Recent studies have emphasized the functional role of neuronal activity underlying oscillatory local field potential (LFP) signals during visual processing in natural conditions. While functionally relevant components in ...
Correlated X-ray/optical variability in the quasar MR 2251-178
(BLACKWELL, 2008-09-21)
Emission from active galactic nuclei is known to vary strongly over time over a wide energy band, but the origin of the variability and especially of the interband correlations is still not well established. Here we present ...