On the refinement of the anharmonic force field of BrNO

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Dipto. di Chim. Fisica ed Inorganica, Universitá di Bologna, Viale Risorgimento 4, 40136 Bologna, Italy [1 ]
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Spectrochim. Acta Part A Mol. Biomol. Spectrosc. | / 8卷 / 1139-1151期
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The CNR of Italy and EEC under the TMR Program (Contract No. ERBFMRXCT96-0088) have supported this work. P.P. acknowledges Professor N.C. Handy for many useful discussions and hospitality at St. Catherine College and at the Chemical Laboratory of the University of Cambridge. A.O.M. acknowledges the award of EEC fellowships under the ICARUS scheme (Contract No. CHGECT93-0048) to visit CINECA; the Computer Center of the University of Bologna; where this work has been completed. All authors thank CINECA for generous computers grants on the T3D and SP2 parallel computers; where parallel version of our codes have been implemented for this investigation. The authors are grateful to Professors N.C. Handy; P.J. Knowles and H.J. Werner for copies of their programs; CADPAC and MOLPRO;
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