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1.
J Acoust Soc Am ; 148(6): 3417, 2020 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-33379891

RESUMO

The energy method is used on the radial and circumferential displacement mode shapes of tapered piezoelectric slotted cylinder projectors to determine the electro-mechanical equivalent circuit parameters for the transducer. Results are determined for acoustically unloaded conditions for any degree of shell tapering. The resonance frequency (fr), mechanical quality factor (Qm), and electro-mechanical coupling factor (keff) are calculated and compared to measured data.

2.
J Phys Chem A ; 110(23): 7491-5, 2006 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-16759140

RESUMO

The molecular structure of chloronitromethane was studied in the gas phase at a nozzle-tip temperature of 373 K. The experimental data were interpreted using a dynamic model where the molecules are undergoing torsional motion governed by a potential function: V = V2/2x(1 - cos 2tau) + V4/2x(1 - cos 4tau) with V2 = 0.81(30) and V4 = 0.12(40) kcal/mol (tau is the dihedral angle between the C-Cl and N-O bond). The conformer with a zero degree dihedral angle is the most stable conformer. Comparison with results from HF/MP2/B3LYP 6-311G(d,p) calculations were made. The important geometrical parameter values (for the eclipsed form) obtained from least-squares refinements are the following: r(C-H) = 1.061(18)A, r(C-N) = 1.509 (5)A, r(N-O) = 1.223(1)A, r(C-Cl) = 1.742(2)A, angleClCN = 115.2(7) degrees, angleO4NC = 118.9(10) degrees, angleO5NC = 114.9(16) degrees, and angleClCH 115(4) degrees.


Assuntos
Simulação por Computador , Metano/análogos & derivados , Modelos Químicos , Nitrocompostos/química , Elétrons , Gases/química , Metano/química , Estrutura Molecular , Espalhamento de Radiação , Análise Espectral/métodos
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