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Download PDF by : Acid Derivatives: Volume 2 (1992)

ISBN-10: 0470772506

ISBN-13: 9780470772508

ISBN-10: 047193111X

ISBN-13: 9780471931119

Best multinational researchers of their revered fields supply overall assurance of all of the theoretical, actual, man made and analytical points of acid derivatives in addition to their mechanistic and organic houses.

Chapter 1 common and theoretical (pages 1–50): Harold Basch and Tova Hoz
Chapter 2 Thermochemistry of carboxylic acids and derivatives (pages 51–94): G. Pilcher
Chapter three Chiroptical homes of acid derivatives (pages 95–131): Jan Sandstrom
Chapter four Mass spectrometry of carboxylic acid derivatives (pages 133–151): Helge Egsgaard and Lars Carlsen
Chapter five Nuclear magnetic resonance of acids and acid derivatives (pages 153–226): Poul Erik Hansen
Chapter 6 ESR stories of natural loose radicals from carboxylic acids and their derivatives (pages 227–266): Michael J. Davies, Bruce C. Gilbert and Adrian C. Whitwood
Chapter 7 Vibrational research of acid derivatives (pages 271–303): Herman O. Desseyn
Chapter eight Acid–base houses of carboxylic acids, esters and amides (pages 305–369): Romuald I Zalewski
Chapter nine Syntheses and makes use of of isotopically labelled acid derivatives (pages 371–546): Mieczyslaw Zielinski and Marianna Kanska
Chapter 10 The chemistry of lactones and lactams (pages 547–614): G. V. Boyd
Chapter eleven the unreal makes use of of carboxylic acids and their derivatives (pages 615–701): Jeffrey Hoyle
Chapter 12 Vapour and gas?phase reactions of carboxylic acids and their derivatives (pages 703–746): Kenneth A. Holbrook
Chapter thirteen Mechanistic points. fresh advancements relating mechanisms of acylation by way of carboxylic acid derivatives (pages 747–802): D. P. N. Satchell and R. S. Satchell
Chapter 14 Thio derivatives (pages 803–847): S. Kato and T. Murai
Chapter 15 Hydroxamic acids (pages 849–873): James W. Munson
Chapter sixteen The chemistry of amidoximes (pages 875–966): Demetrios N. Nicolaides and Evangelia A. Varella
Chapter 17 practise and chemistry of ortho acids, ortho esters and ortho amides (pages 967–1030): Ulf Pindur
Chapter 18 fresh advancements touching on carboxyl teams in biochemistry (pages 1031–1061): Alan H. Mehler
Chapter 19 Pharmacology of acid derivatives (pages 1063–1105): Abraham Danon and Zvi Ben?Zvi
Chapter 20 Photochemistry of esters, lactones and their thio analogues (pages 1107–1198): Hiroshi Suginome
Chapter 21 Radiation chemistry of fatty and amino acids (pages 1199–1248): S. V. Jovanovic and Lj. R. Josimovic
Chapter 22 Electrochemistry of carboxylic acids: mechanistic points of Kolbe?type reactions (pages 1249–1270): Elisabet Ahlberg
Chapter 23 Rearrangements (pages 1271–1394): Miguel A. Miranda and Hermenegildo Garcia
Chapter 24 the applying of lipases in natural synthesis (pages 1395–1473): Gudmundur G. Haraldsson
Chapter 25 Diazoacetic acids and derivatives (pages 1475–1637): Oleg M. Nefedov, Evgenii A. Shapiro and Alexey B. Dyatkin
Chapter 26 Anion radicals of fragrant carboxylic acids and their derivatives: constitution and reactivity (pages 1639–1682): Isaak I. Bilkis

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Warshel and R. M. Weiss, J. Am. Chem. , 102, 6218 (1980); A. Warshel and J. K. Hwang, J. Chem. , 84, 4938 (1986). 18. C. E. Dykstra, in Structure and Dynamics of Weakly Bound Molecular Complexes, (Ed. A. Weber), D. Reidel, Dordrecht, 1986, p. 319; J. Phys. , 94, 6948 (1990). 19. S. Scheiner, J. Mol. , 202, 177 (1989). 20. P. G. Jasien and W. J. Stevens, J. Chem. , 84, 3271 (1986). 21. R. D. Suenram and F. J. Lovas, J. Chem. , 88, 722 (1988). 22. R. D. Suenram and F. J. Lovas, J. Mol. , 72, 372 (1978); J.

Within this limitation, the individual contributions to the total interaction energy can be evaluated ah inirio using frozen-fragment, reduced variational space calculationss8. The formal theoretical basis for such a separation is found in McWeeny’s theory for separable electron pairs”. although its practical application to large systems is diffi~ ~ l tThe ~ interaction ~ . ~ ~ terms . are therefore replaced by effective potentials which represent the interaction of the Q M system with the environment o r solvent.

The cations were usually pre-positioned near or between the electronegative atoms as initial structures for the geometry optimizations. These comments are generally appropriate for all the M -X calculations reported here. Mulliken populations for the - + + 26 Harold Basch and Tova Hoz TABLE 4. 8 H+ 209 202 181 172 I87 I78 222b208' 219'201' 21 l d 202d 354 342 38 I 372 249 238 ' In kcal mol I . N-protonated (Figure 28), relative to conformer I (Figure 29). 0-protonated (Figure 27), relative to conformer I (Figure 29).

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Acid Derivatives: Volume 2 (1992)

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