Computational Chemistry

1. Metal-metal interactions in binuclear cyclopentadienylmetal carbonyls: Extending insight from experimental work through computational studiesR. Bruce King2. Novel aspects of element-element bonds in main group chemistryChristina Poggel and Gernot Frenking3. The beryllium bondM. Merced Montero-Campillo, Otilia Mó, Manuel Yáñez, Ibon Alkorta and José Elguero4. Cation affinities throughout the periodic tableZakaria Boughlala, Célia Fonseca Guerra and F. Matthias Bickelhaupt5. Stacking interaction potential energy surfaces of square-planar metal complexes containing chelate ringsJelena P. Blagojevic Filipovic, Michael B. Hall and Snezana D. Zaric6. Quantitative descriptors of electronic structure in the framework of molecular orbital theory Serge I. Gorelsky7. Toward accurate spin-state energetics of transition metal complexesMariusz Radon8. Structure and bonding in endohedral transition metal clustersXiao Jin and John E. McGrady9. Molecular modeling of transition metal and rare earth coordination compoundsPeter Comba and Bodo Martin10. Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms and scopeZhihong Wei and Haijun Jiao11. Schrock vs. Fischer carbenes: A quantum chemical perspectiveJoonghee Won, Hoimin Jung, Manoj V. Mane, Joon Heo, Seongyeon Kwon and Mu-Hyun Baik12. Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) reviewRalph Puchta, Svetlana Begel and Rudi van Eldik13. Molecular simulations of crystal growth: From understanding to tailoringPatrick Duchstein, Philipp Ectors and Dirk Zahn