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THE EQUILIBRIUM STRUCTURE AND WAVENUMBERS OF TOTALLY SYMMETRIC VIBRATIONS FOR $H_{2}CCCC$ CALCULATED AB INITIO
Peter Botschwina, Melanie Oswald
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Abstract
$^{1}$P. Thaddeus, C. A. Gottlieb, R. Mollaghababa, and J. M. Vrtilek, J. Chem. Soc. Faraday Trans. 89, 2125 (1993). $^{2}$C.A. Gottlieb, T. C. Killian, P. Thaddeus, P. Botschwinn, J. Fl\""{u}gge, and M. Oswald, J. Chem. Phys. 98, 4478 (1993). $^{3}$ Coupled Cluster method with single and double excitation operators and a quasiperturbative treatment of the effects of connected triple excitations; K. Raghavachari, G. W. Trucks, J. A. Pople and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).