Computer-Chemie-Centrum (CCC)

CONFORMATION OF 6-MORPHOLINO-3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES (1993) Clark T Journal article AB-INITIO MODELS FOR MULTIPLE-HYDROGEN EXCHANGE - COMPARISON OF CYCLIC 4-CENTER AND 6-CENTER SYSTEMS (1993) Heidrich D, van Eikema Hommes N, Schleyer P Journal article PICOLINE AND TOLUENE - A COMPARISON OF STRUCTURAL-PROPERTIES AND RELATIVE STABILITIES OF THEIR MONOLITHIATED DERIVATIVES (1993) Anders E, Opitz A, van Eikema Hommes N, Hampel F Journal article ROTATIONAL BARRIERS OF 1,1'-BINAPHTHYLS - A COMPUTATIONAL STUDY (1993) Clark T, Schleyer P Journal article 1,5-DILITHIATED ARENES - DOUBLE METAL BRIDGING VERIFIED BY 3 X-RAY STRUCTURES AND MNDO CALCULATIONS (1993) Hampel F, Clark T, Kos A, Schleyer P Journal article MULTICENTER POINT-CHARGE MODEL FOR HIGH-QUALITY MOLECULAR ELECTROSTATIC POTENTIALS FROM AM1 CALCULATIONS (1993) Rauhut G, Clark T Journal article ARE THE C4V COMPLEXES OF CYCLOBUTADIENE WITH CO, NO+, AND CS MINIMA (1993) Glukhovtsev M, Schleyer P, van Eikema Hommes N, Minkin V Journal article MOLECULAR-ORBITAL STUDIES OF ENZYME MECHANISMS .2. CATALYTIC-OXIDATION OF ALCOHOLS BY LIVER ALCOHOL-DEHYDROGENASE (1993) Clark T Journal article IS TETRAHEDRAL H-4(2+) A MINIMUM - ANOMALOUS BEHAVIOR OF POPULAR BASIS-SETS WITH THE STANDARD P-EXPONENTS ON HYDROGEN (1993) Glukhovtsev M, Schleyer P, van Eikema Hommes N, Walkimar de M. Carneiro J, Koch W Journal article NDDO-BASED CI METHODS FOR THE PREDICTION OF ELECTRONIC-SPECTRA AND SUM-OVER-STATES MOLECULAR HYPERPOLARIZATION (1993) Clark T, Chandrasekhar J Journal article