A Tribute Volume in Honor of Professor Osvaldo Goscinski by E.J. Brandas, and E. Brandas (Eds.)

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By E.J. Brandas, and E. Brandas (Eds.)

Advances in Quantum Chemistry offers surveys of present advancements during this quickly constructing box that falls among the traditionally tested components of arithmetic, physics, and chemistry. With invited stories written by way of best foreign researchers, in addition to standard thematic concerns, every one quantity provides new effects and offers a unmarried automobile for following growth during this interdisciplinary zone. quantity forty seven is a tribute in honor of Professor Osvaldo Goscinski. the amount will examine the accomplishments of a guy who has led a notable improvement in the box and built and reinforced clinical networks in Quantum Chemistry and Chemical Physics. * offers a tribute in honor of Professor Osvaldo Goscinski, a guy who has led a awesome improvement in the box. learn more... summary: Advances in Quantum Chemistry offers surveys of present advancements during this speedily constructing box that falls among the traditionally tested components of arithmetic, physics, and chemistry. With invited studies written by way of top overseas researchers, in addition to standard thematic matters, every one quantity offers new effects and offers a unmarried automobile for following growth during this interdisciplinary zone. quantity forty seven is a tribute in honor of Professor Osvaldo Goscinski. the quantity will examine the accomplishments of a guy who has led a notable improvement in the box and constructed and bolstered medical networks in Quantum Chemistry and Chemical Physics. * offers a tribute in honor of Professor Osvaldo Goscinski, a guy who has led a extraordinary improvement in the box

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5. 33 kcal mol21 is calculated. In Table 1, energy differences and product compositions obtained by computational chemistry at various levels of theory are presented for activated complexes built from one molecule of epoxide 2, monomeric or dimeric lithium amide 4 and no or one specifically solvating THF or DEE molecule. It is interesting to note that all levels of theory predict the (S)-isomer as the major enantiomer product as found experimentally except with PM3//PM3. On this level of theory the unsolvated activated complex (R)-TS is favoured (entry 16).

1997, 38, 6425. [13] S. K. Bertilsson, M. J. So¨dergren and P. G. Andersson, J. Org. , 2002, 67, 1567. [14] S. O. Nilsson Lill, P. I. Arvidsson and P. Ahlberg, Acta Chem. , 1998, 52, 280. [15] P. I. Arvidsson, M. Hansson, A. -Q. Khan and P. Ahlberg, Can. J. , 1998, 76, 795. [16] P. I. Arvidsson, G. Hilmersson and P. Ahlberg, J. Am. Chem. , 1999, 121, 1883. [17] S. O. Nilsson Lill, P. I. Arvidsson and P. Ahlberg, Tetrahedron: Asymmetry, 1999, 10, 265. [18] R. I. Olsson and P. Ahlberg, Tetrahedron: Asymmetry, 1999, 10, 3991.

SEARCH FOR MORE STEREOSELECTIVE CHIRAL LITHIUM AMIDES The developed model for the deprotonation activated complexes described above has been used as a starting point for structural modification of the lithium amide in order to increase the energy difference between the diastereomeric-activated complexes and thus the stereoselectivity. Computational chemistry has been used to predict the stereoselectivity with modified chiral lithium amides. Some of these designed novel lithium amides have been synthesized and investigated experimentally with respect to their stereoselectivity.

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