Journal of Computational Chemistry
Journal Abbreviation: J COMPUT CHEM
ISSN: 0192-8651
eISSN: 1096-987X
Publisher: Wiley-Blackwell
Publications (39)
Enthalpies of formation from B3LYP calculations (2004)
Winget P, Clark T
Journal article
The structure and stability of Si-60 and Ge-60 cages: A computational study (2003)
Chen Z, Jiao H, Horn A, Clark T, Thiel W, Schleyer P
Journal article
VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods (1997)
Beck B, Clark T, Glen R
Journal article
Empirical force-field and ab initio calculations on delocalized open chain cations (1997)
Clark T, Schleyer P
Journal article
A new method for empirical force field calculations on localized and delocalized carbocations (1996)
Clark T, Schleyer P
Journal article
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