By Ralph E. Christoffersen (Eds.)

content material: Graph algorithms in chemical computation / Robert Endre Tarjan --
set of rules layout in computational quantum chemistry / Ernest R. Davidson --
Rational number of algorithms for molecular scattering calculations / Roy G. Gordon --
Molecular dynamics and transition kingdom idea : the simulation of rare occasions / Charles H. Bennett --
more moderen computing thoughts for molecular constitution reviews by way of X-ray crystallography / David J. Duchamp --
Algorithms within the computing device dealing with of chemical info / Louis J. O'Korn.

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3. 4. 5. 6. , Z. Physik. (1930) 65, 209. M. , J. Chem. Phys. (1933) 1, 825. , Proc. Cambridge P h i l . Soc. (1928) 24, 89. H. Proc. Cambridge P h i l . Soc. (1927) 23, 542. , Phys. Rev. (1931) 38, 1109. , J. Am. Chem. Soc. (1931) 53, 1367. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1977. ch002 7. 8. 9. , Phys. Rev. (1928) 32, 186. , J . Chem. Soc. (1953) 2260. Pauling, L. , J . Chem. Phys. (1933) 1, 362. 10. Pariser, R. , J . Chem. Phys. (1953) 21, 466. 11. M. , J. Chem.

J . Chem. Phys. (1956) 24, 452. 24. , Rev. Mod. Phys. (1951) 23, 161. 25. J. , i n "Methods i n Computational Physics", Vol. , Academic Press, 1963. 26. , Mol. Phys. (1974) 28, 219. 27. R. , J. Chem. , J . Chem. Phys. (1976) 65, 609. 28. , i n "Modern Theoretical Chemistry", Vol. F. , Plenum Press, New York, 1976. 29. , Phys. Rev. (1934) 44, 618. 30. , Int. J . Quant. Chem. (1974) 8, 857. 31. , "Reduced Density Matrices i n Quantum Chemistry, Academic Press, New York, 1976. 32. , Int. J . Quant.

This w i l l allow about 1 0 a r i t h m e t i c operations ( a d d i t i o n o r ^ m u l t i p l i c a t i o n ) . Also we can assume^that at most 10 words of high speed core memory, 10 words of low^ speed core, 1 0 words of d i s k or drum storage, and 10 words of s e q u e n t i a l tape storage are a v a i l a b l e . By present standards t h i s would be a very large c a l c u l a ^ t i o n s i n c e every member given here i s a f a c t o r of 10 l a r g e r than what i s t y p i c a l l y used.

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