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Computer-Chemie-Centrum
Friedrich-Alexander-Universität Erlangen-Nürnberg
Naturwissenschaftliche Fakultät
Department Chemie und Pharmazie
Overview
Publications
(674)
Research Grants
(6)
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Journal article
Journal article
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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
1,2-Dilithioethaan en derivaten van Dilithiomethaan (1989)
van Eikema Hommes N
Thesis
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