Journal of Computational Chemistry
Journal Abbreviation: J COMPUT CHEM
ISSN: 0192-8651
eISSN: 1096-987X
Publisher: Wiley-Blackwell
Publications (34)
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