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Molecular mechanics. Von U<scp>LRICH</scp> B<scp>URKERT</scp> und N<scp>ORMAN</scp> L. A<scp>LLINGER</scp>. ACS Monograph 177. Washington: American Chemical Society 1982. 430 S., US $ 77.95

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Molecular Kinetics, Chemical Thermodynamics, Acs Monograph 177 +15