Ab Initio versus CNDO barrier calculations

journal article Jan 01, 1971

Theoretica Chimica Acta Vol. 23 No. 2 pp. 127-137 · Springer Science and Business Media LLC

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References

12

[1]

Wagner,E.L.: Theoret. chim. Acta (Berl.) (submitted).

[2]

Nixon,E.R.: J. physic. Chem. 60, 1054 (1956). 10.1021/j150542a009

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Baudler,M., Schmidt,L.: Z. anorg. allg. Chem. 289, 219 (1957). 10.1002/zaac.19572890119

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Frankiss,S.G.: Inorg. Chem. 7, 1931 (1968). 10.1021/ic50067a051

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Rudolph,R.W., Taylor,R.C., Parry,R.W.: J. Amer. chem. Soc. 88, 3729 (1966). 10.1021/ja00968a010

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Frankiss,S.G., Miller,F.A.: Spectrochim. Acta 21, 1235 (1965). 10.1016/0371-1951(65)80207-7

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? ?, Stammreich,H., Sans,Th.T.: Spectrochim. Acta 23A, 543 (1967). 10.1016/0584-8539(67)80311-8

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Leung,Y.C., Waser,J.: J. physic. Chem. 60, 539 (1956). 10.1021/j150539a007

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Gordon,M.S.: J. Amer. chem. Soc. 91, 3122 (1969). 10.1021/ja01040a003

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Cowley,A.H., White,W.D., Damasco,M.C.: J. Amer. chem. Soc. 91, 1922 (1969). 10.1021/ja01036a009

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Program written by Roos,B., Salez,C., Veillard,A., Clementi,E. and obtained from Clementi,E.: IBM Research Laboratory, San Jose, Calif. USA.

[12]

Allen,L.C.: Chem. Physics Letters 2, 597 (1968). 10.1016/0009-2614(63)80026-3

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E. L. Wagner (1971). Ab Initio versus CNDO barrier calculations. Theoretica Chimica Acta, 23(2), 127-137. https://doi.org/10.1007/bf00526426

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