Conceptual trends

The pitfalls of a computer model are obvious in that it is only a conceptual representation of the reactor and includes only as many aspects of the real reactor as present knowledge permits. In addition, even the most perfectly conceived description will still depend upon the accuracy of the physically measured constants used in the model for the quality of the process representation. The goal of this report is, however, only to show conceptual trends and the technological base is developed to the extent that the conceptual trends will be correct. In some respects the computer model is a better process development tool than the pilot plant used for the LDPE process since the pilot reactor does not yield directly scaleable information. The reader should take care to direct his attention to the trend information and conceptual differences developed in this work very little attention should be paid to the absolute values of the parameters given. 

M. Quack and M. A. Suhm, Potential energy hypersurfaces for hydrogen bonded clusters (HF) , in Conceptual Perspectives in Quantum Chemistry, Conceptual Trends in Quantum Chemistry, Vol. Ill, J. L. Calais and E. S. Kryachko, ed., Kluwer, Dordrecht, 1997, pp. 415 463. 

Avery, J., in Conceptual Trends in Quantum Chemistry, E.S. Kryachko and J.L. Calais (eds.), Kluwer Academic Publishers, Dordrecht, Netherlands, (1994), pp. 135-169. 

Sahni V (1995) in Calais JL, Kryachko E (eds) Structure and Dynamics Conceptual Trends. Kluwer, Dordrecht... 

While many publications in the field of heat-integrated processes focus on specific processes such as dehydrogenation of paraffins or hydrogen production [3-5], this chapter is more focused on general conceptual trends in process and apparatus design. 

Eugene S. Kryachko and Jean Louis Calais, Conceptual Trends in Quantum Chemistry, Kluwer, Dordrecht, 1994. 

By carrying this observation to its extreme, a relatively simple two-level model can be developed that is useful for conceptualizing trends that influence p. If we assume a model with a nonpolar ground state and a polar lowest excited state coupled by charge-transfer resonance (structure 6.2), equation 6.7 simplifies to... 

K.F. Freed, in Structure and Dynamics of Atoms and Molecules Conceptual Trends, 25 (Eds.J.L. Calais,E.S.Kryachko, Kluwer, 1995). 

P. Fischer and M. Defranceschi, Looking at Atomic Orbitals through Fourier and Wavelet Transforms, Internal. Journal of Quantum Chemistry. 45 (1993), 619-636. P. Fischer and M. Defranceschi, The Wavelet Transform A New Mathematical Tool for Quantum Chemistry, in Conceptual Trends in Quantum Chemistry, (E. S. Kryachko and J. L. Calais Eds). Kluwer Academic. Dordrecht. (1994). pp. 227-247. 

P. Fischer and M. Defranceschi, in Conceptual Trends in Quantum Chemistry, E. S. Kryachko... 

Freed, K. 1955. BuUding a bridge between ah initio and semi-empirical theories of molecular electronic stmcture. In Structure and dynamics of atoms and molecules Conceptual trends, ed. J. L. Calais and E. 5. Kryachko, 25-67. Dordrecht Kluwer Academic Publishers. 

Sutcliffe BT (1994) In Kryachko ES, Calais JL (eds) Conceptual trends in quantum chemistry. Kluwer, Dordrecht, p 53... 

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