Timothy Clark

Timothy Clark: Tautomers and reference 3D-structures: the orphans of in silico drug design. Journal of Computer-Aided Molecular Design 24(6-7): 605-611 (2010)

Andreas H. Göller, Matthias Hennemann, Jörg Keldenich, Timothy Clark: In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors. Journal of Chemical Information and Modeling 46(2): 648-658 (2006)

Jr-Hung Lin, Timothy Clark: Nanoporous Carbon Allotropes by Septupling Map Operations. Journal of Chemical Information and Modeling 45(4): 1010-1016 (2005)

Bernd Ehresmann, Marcel J. de Groot, Timothy Clark: Surface-Integral QSPR Models: Local Energy Properties. Journal of Chemical Information and Modeling 45(4): 1053-1060 (2005)

Paul Winget, Timothy Clark: Enthalpies of formation from B3LYP calculations. Journal of Computational Chemistry 25(5): 725-733 (2004)

Bernd Ehresmann, Marcel J. de Groot, Alexander Alex, Timothy Clark: New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them. Journal of Chemical Information and Modeling 44(2): 658-668 (2004)

Timothy Clark: Editorial: Identity and Interoperability in Bioinformatics. Briefings in Bioinformatics 4(1): 4-6 (2003)

Zhongfang Chen, Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Timothy Clark, Walter Thiel, Paul von Ragué Schleyer: The structure and stability of Si60 and Ge60 cages: A computational study. Journal of Computational Chemistry 24(8): 948-953 (2003)

Andrew J. Chalk, Bernd Beck, Timothy Clark: A Quantum Mechanical/Neural Net Model for Boiling Points with Error Estimation. Journal of Chemical Information and Computer Sciences 41(3): 457-462 (2001)

Andrew J. Chalk, Bernd Beck, Timothy Clark: A Temperature-Dependent Quantum Mechanical/Neural Net Model for Vapor Pressure. Journal of Chemical Information and Computer Sciences 41(4): 1053-1059 (2001)

Bernd Beck, Andreas Breindl, Timothy Clark: QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP. Journal of Chemical Information and Computer Sciences 40(4): 1046-1051 (2000)

Bernd Beck, Anselm H. C. Horn, John E. Carpenter, Timothy Clark: Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures. Journal of Chemical Information and Computer Sciences 38(6): 1214-1217 (1998)

Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer: Empirical force-field and ab initio calculations on delocalized open chain cations. Journal of Computational Chemistry 18(1): 28-44 (1997)

Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer: Empirical force field and ab initio calculations on allyl cations. Journal of Computational Chemistry 18(4): 533-551 (1997)

Bernd Beck, Timothy Clark, Robert C. Glen: VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods. Journal of Computational Chemistry 18(6): 744-756 (1997)

Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer: A new method for empirical force field calculations on localized and delocalized carbocations. Journal of Computational Chemistry 17(12): 1406-1430 (1996)

Henryette Roth, Timothy Clark: Electronic publishing and the Web. WebNet 1996

Bernd Beck, Guntram Rauhut, Timothy Clark: The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials. Journal of Computational Chemistry 15(10): 1064-1073 (1994)

Timothy Clark: Can we predict reactivity using MO calculations? Journal of Chemical Information and Computer Sciences 30(4): 373-376 (1990)