Journal of Computational Chemistry

Journal Abbreviation: J COMPUT CHEM
ISSN: 0192-8651
eISSN: 1096-987X
Publisher: Wiley-Blackwell

Publications (34)

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THE NATURAL ATOMIC ORBITAL POINT-CHARGE MODEL FOR PM3 - MULTIPOLE MOMENTS AND MOLECULAR ELECTROSTATIC POTENTIALS (1994) Beck B, Rauhut G, 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 MULTICENTER POINT-CHARGE MODEL FOR HIGH-QUALITY MOLECULAR ELECTROSTATIC POTENTIALS FROM AM1 CALCULATIONS (1993) Rauhut G, Clark T 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 MO-STUDIES OF ENZYME REACTION-MECHANISMS .1. MODEL MOLECULAR-ORBITAL STUDY OF THE CLEAVAGE OF PEPTIDES BY CARBOXYPEPTIDASE-A (1992) Alex A, 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 EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS-SETS FOR ANION CALCULATION .4. AN EVALUATION OF THE PERFORMANCE OF DIFFUSE FUNCTION-AUGMENTED BASIS-SETS FOR 2ND-ROW ELEMENTS, NA-CL (1987) Spitznagel GW, Clark T, Schleyer P, Hehre W Journal article EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F (1983) Clark T, Schleyer P Journal article 3-ELECTRON BONDS .3. PHOSPHORUS AND CHLORINE SIGMA-STAR RADICAL CATIONS (1983) Clark T Journal article
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