This edition reflects the enormous growth in the calculation of molecular electronic wave functions and energies since 1978, particularly the use of computer programs for carrying out these calculations from first principles. Stressing the concepts of chemical bonding, it presents the results of ab-initio calculations for the support or disproval of the models on which these concepts are founded. Along with numerous specific examples, this edition provides details of the mathematical bases of the calculations or the computer programs which carry them out. In addition, its treatment of group theory techniques has been strengthened and its discussion of transition metal chemistry has been updated.
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Descripción John Wiley & Sons, 1985. Hardcover. Estado de conservación: New. 2. Nº de ref. de la librería DADAX0471907596