Rosenberg

Rosenberg R O, Berne B J and Chandler D 1980 Isomerization dynamics in liquids by molecular dynamics Chem. Phys. Lett. 75 162... 

More complicated reactions and heat capacity functions of the foiiii Cp = a + bT + cT + are treated in thermodynamics textbooks (e.g., Klotz and Rosenberg, 2000). Unfortunately, experimental values of heat capacities are not usually available over a wide temperature range and they present some computational problems as well [see Eq. (5-46)]. 

The remaining question is how we got from G3MP2 (OK) = —117.672791 to G3MP2 Enthalpy = —117.667683. This is not a textbook of classical thermodynamics (see Klotz and Rosenberg, 2000) or statistical themiodynamics (see McQuarrie, 1997 or Maczek, 1998), so we shall use a few equations from these fields opportunistically, without explanation. The definition of heat capacity of an ideal gas... 

Non-enzymatic cyclizations of educts containing chiral centres can lead to products with additional "asymmetric centres. The underlying effect is called "asymmetric induction . Its systematic exploration in steroid syntheses started when G. Saucy discovered in 1971 that a chiral carbon atom in a cyclic educt induces a stereoselective Torgov condensation several carbon atoms away (M. Rosenberger, 1971, 1972). 

Figure 5.10 Part of the far-infrared spectrum of silane. (Reproduced, with permission, from Rosenberg, A. and Ozier, I., Can. J. Phys., 52, 575, 1974)...

S. Rosenberg and J. Carray2a, Conventional Munition Demilitari tion andDisposal private communication, ARDEC, Dover, N.J. (iacludes ahst of activities at all U.S. government facilities). 

N. Rosenberg, Technology and American Economic Growth, Harper and Row, New York, 1972. 

P. D. Rosenberg, Patent Eaw Basics, Clark Boardman Callaghan, New York, 1992. 

F. Rosenberger, in J. Zierep and H. Oertel, eds.. Convective Transport andinstability Phenomena, Vedag G. Braun, Kadsmhe, Germany, 1982, p. 469. 

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