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MOLECULAR-FORCE FIELD OF METHANOL
(Marcel Dekker IncNew York, 1993)
Vibrational study of N-phenyl-substituted hydroxynaphthylaldiminate copper(II) complexes
(1993)
The infrared spectra of seven bis(N-phenyl-substituted hydroxynaphthylaldiminate) complexes of Cu(II) were scanned from 4000 to 100 cm-1. Particular emphasis is given to the low-energy region. The assignment of the chelate ...
Spectra and structure of polyamine-copper(II) complexes. Infrared spectrum and normal coordinate calculations of mono(diethylenetriamine) copper(II) nitrate
(1993)
The infrared spectrum of mono(diethylenetriamine)copper(II) nitrate has been obtained in the frequency range 4000-80 cm-1. Assignments of fundamental frequencies in the coordination site, as well as in the free and bonded ...
General valence force field and molecular dynamic parameters for cubic lanthanide hexachloro-elpasolite crystals
(1988)
A normal coordinate analysis has been carried out for the series Cs2NaLnCl6, where Ln represent a trivalent lan thanide cation such as Pr+ 3, Sm+3, Eu+3, Tb+ 3, Ho+3and Tm+3by using a general valence force field (GVFF). A ...
Theoretical-Experimental Study of Formic Acid Photofragmentation in the Valence Region
(Amer Chemical SocWashingtonEUA, 2012)
Iron(II) and manganese(I) complexes containing diphosphine ligands. An infrared study of BrMn(CO)2 (dppm)P(OPh)3 and CpFe(dppe)R (R = I, CN)
(1994)
Infrared spectra in the region 4000-70 cm-1 are recorded for [1,2-bis(diphenylphosphino)methane](triphenylphosphite)bromo (cis,cis- and trans-dicarbonyl)manganese, and η5-cyclopentadienyl-[1,2-bis(diphenylphosphino)ethan ...
Experimental study of the vibrational spectra of (CH3) 3GeBr supported by DFT calculations
(John Wiley & Sons Ltd, 2009-03)
The infrared and Raman spectra of bromotrimethylgermane (BTMG) were recorded afresh to complete the assignment of its vibrational spectra. The vibrational spectrum of BTMG has been predicted from hybrid density functional ...
Scaled quamtum mechanical (sqm) force field for amino-oxo tautomer of 1, 5 dimethylcytosine
(Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia, 2011-11)
We have performed a force field calculation for the amino-oxo tautomer of 1, 5- dimethylcytosine at B3LYP/6-31G* level following the refinement and the scaling methodologies. Quantum mechanical calculations were carried ...
Structural characterization and magnetic property studies of a mixed-valence {CoIIICo II 4 } complex with a μ4-oxo tetrahedral {Co II 4 } motif
(Royal Society of Chemistry, 2020-01)
We have synthesized and structurally characterized a new mixed valence pentanuclear Co complex, bearing a rare μ4-O-tetrahedral CoII 4 unit, by employing a pyridine-like Schiff base ligand. We have performed DC magnetic ...