Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals.
1. Cover image - p. iv 2. Title page - p. iv 3. Table of Contents - p. iv 4. Copyright - p. iv 5. Contributors - p. ix 6. Preface - p. xiii 7. Feature Article - p. xv 8. Chapter One: Metal-metal interactions in binuclear cyclopentadienylmetal carbonyls: Extending insight from experimental work through computational studies - p. xv 9. Chapter Two: Novel aspects of element-element bonds in main group chemistry - p. 32 10. Chapter Three: The beryllium bond - p. 71 11. Chapter Four: Cation affinities throughout the periodic table - p. 121 12. Chapter Five: Stacking interaction potential energy surfaces of square-planar metal complexes containing chelate rings - p. 158 13. Chapter Six: Quantitative descriptors of electronic structure in the framework of molecular orbital theory - p. 189 14. Chapter Seven: Toward accurate spin-state energetics of transition metal complexes - p. 219 15. Chapter Eight: Structure and bonding in endohedral transition metal clusters - p. 264 16. Chapter Nine: Molecular modeling of transition metal and rare earth coordination compounds - p. 304 17. Chapter Ten: Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms and scope - p. 322 18. Chapter Eleven: Schrock vs Fischer carbenes: A quantum chemical perspective - p. 384 19. Chapter Twelve: Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) review - p. 443 20. Chapter Thirteen: Molecular simulations of crystal growth: From understanding to tailoring - p. 505 21. Index - p. 531
Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals.
1. Cover image - p. iv 2. Title page - p. iv 3. Table of Contents - p. iv 4. Copyright - p. iv 5. Contributors - p. ix 6. Preface - p. xiii 7. Feature Article - p. xv 8. Chapter One: Metal-metal interactions in binuclear cyclopentadienylmetal carbonyls: Extending insight from experimental work through computational studies - p. xv 9. Chapter Two: Novel aspects of element-element bonds in main group chemistry - p. 32 10. Chapter Three: The beryllium bond - p. 71 11. Chapter Four: Cation affinities throughout the periodic table - p. 121 12. Chapter Five: Stacking interaction potential energy surfaces of square-planar metal complexes containing chelate rings - p. 158 13. Chapter Six: Quantitative descriptors of electronic structure in the framework of molecular orbital theory - p. 189 14. Chapter Seven: Toward accurate spin-state energetics of transition metal complexes - p. 219 15. Chapter Eight: Structure and bonding in endohedral transition metal clusters - p. 264 16. Chapter Nine: Molecular modeling of transition metal and rare earth coordination compounds - p. 304 17. Chapter Ten: Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms and scope - p. 322 18. Chapter Eleven: Schrock vs Fischer carbenes: A quantum chemical perspective - p. 384 19. Chapter Twelve: Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) review - p. 443 20. Chapter Thirteen: Molecular simulations of crystal growth: From understanding to tailoring - p. 505 21. Index - p. 531
