Computer-Chemie-Centrum (CCC)

A COMPARATIVE THEORETICAL-STUDY OF THE ALLYL ALKALI-METALS (1991) van Eikema Hommes N, Bühl M, Schleyer P, Wu YD Journal article ALLYLBORANE AND ITS ISOMERS - AN ABINITIO STUDY OF THE C3BH7 POTENTIAL-ENERGY SURFACE, THE BARRIER TO 1,3-SHIFTS IN ALLYLBORANES, AND NONCLASSICAL BORACYCLOBUTANE, CYCLOPROPYLBORANE, AND VINYLBORANE STRUCTURES (1991) Schleyer P, Clark T Journal article ELECTROSTATIC CATALYSIS OF OXIDATION REACTIONS BY METAL-CATIONS - AN ABINITIO STUDY (1991) Clark T Journal article APPLICATIONS AND EVALUATIONS OF IGLO CHEMICAL-SHIFT CALCULATIONS FOR ORGANOLITHIUM COMPOUNDS (1991) Bühl M, van Eikema Hommes N, Schleyer P, Fleischer U, Kutzelnigg W Journal article DILITHIUM DIPHENYLMETHANEDIIDE - GENERATION, REDOX RELATIONSHIP WITH LITHIUM CHLORODIPHENYLMETHANIDE, IMPLICATION WITH REGARD TO AGGREGATION (1991) van Eikema Hommes N, Bickelhaupt F, Klumpp G Journal article ABINITIO SIMULATION OF ELECTRON-TRANSFER REACTIONS - THE REACTION OF ALKALI-METAL ATOMS WITH ETHYLENE (1991) Hänsele E, Clark T Journal article CAN WE PREDICT REACTIVITY USING MO CALCULATIONS (1990) Clark T Journal article A CAUTIONARY NOTE ON THE USE OF THE FROZEN-CORE APPROXIMATION FOR CORRELATION-ENERGY CALCULATIONS INVOLVING ALKALI-METALS (1990) Hänsele E, Clark T Journal article LITHIUM-ION-CATALYZED EPOXIDATION BY TRIPLET DIOXYGEN - AN ABINITIO STUDY (1990) Clark T Journal article THE SOLVENT EFFECT ON THE ELECTRONIC NATURE OF 1,3-DIPOLES - AN ABINITIO SCRF STUDY (1989) Hänsele E, Clark T Journal article