Journal of Computational Chemistry

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

Publications (39)

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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
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