Computer-Chemie-Centrum (CCC)

THE NATURAL ATOMIC ORBITAL POINT-CHARGE MODEL FOR PM3 - MULTIPOLE MOMENTS AND MOLECULAR ELECTROSTATIC POTENTIALS (1994) Beck B, Rauhut G, Clark T Journal article A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION (1994) Clark T, Schleyer P Journal article MOLECULAR-ORBITAL STUDIES OF ELECTRON-TRANSFER REACTIONS (1994) Rauhut G, Clark T Journal article MECHANISMS OF AROMATIC LITHIATION INFLUENCE OF AGGREGATION AND DIRECTING GROUPS (1994) van Eikema Hommes N, Schleyer P Journal article NUCLEOPHILIC RING-OPENING OF EPOXIDES BY ORGANOLITHIUM COMPOUNDS - AB-INITIO MECHANISMS (1994) Harder S, van Lenthe J, van Eikema Hommes N, Schleyer P Journal article LASER-INDUCED CROSS-LINKING OF SILOXANES - A SEMIEMPIRICAL MOLECULAR-ORBITAL STUDY (1994) Clark T Journal article INVERSELY COORDINATING SILANIDE IONS IN AN OLIGOMERIC SODIUM ALCOHOLATE (1994) Pritzkow H, Lobreyer T, Sundermeyer W, van Eikema Hommes N, Schleyer P Journal article ETA(3) AND ETA(6) BRIDGING CATIONS IN THE N,N,N',N'',N''-PENTAMETHYLDIETHYLENETRIAMINE-SOLVATED COMPLEXES OF BENZYLPOTASSIUM AND BENZYLRUBIDIUM - AN X-RAY, NMR, AND MO STUDY (1994) Hoffmann D, Bauer W, Hampel F, van Eikema Hommes N, Schleyer P, Otto P, Pieper U, et al. Journal article A NUMERICAL SELF-CONSISTENT REACTION FIELD (SCRF) MODEL FOR GROUND AND EXCITED-STATES IN NDDO-BASED METHODS (1993) Rauhut G, Clark T Journal article ELECTRON-TRANSFER REACTIONS - AM1 AND AB-INITIO STUDIES ON SELF-EXCHANGE IN P-DIAMINOBENZENE SYSTEMS (1993) Rauhut G, Clark T Journal article