2006 |
18 | EE | 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) |
2005 |
17 | EE | Jr-Hung Lin,
Timothy Clark:
Nanoporous Carbon Allotropes by Septupling Map Operations.
Journal of Chemical Information and Modeling 45(4): 1010-1016 (2005) |
16 | EE | 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) |
2004 |
15 | EE | 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) |
14 | EE | Paul Winget,
Timothy Clark:
Enthalpies of formation from B3LYP calculations.
Journal of Computational Chemistry 25(5): 725-733 (2004) |
2003 |
13 | | Timothy Clark:
Editorial: Identity and Interoperability in Bioinformatics.
Briefings in Bioinformatics 4(1): 4-6 (2003) |
12 | EE | 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) |
2001 |
11 | EE | 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) |
10 | EE | 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) |
2000 |
9 | EE | 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) |
1998 |
8 | EE | 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) |
1997 |
7 | EE | 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) |
6 | EE | 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) |
5 | EE | 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) |
1996 |
4 | | Henryette Roth,
Timothy Clark:
Electronic publishing and the Web.
WebNet 1996 |
3 | EE | 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) |
1994 |
2 | | 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) |
1990 |
1 | EE | Timothy Clark:
Can we predict reactivity using MO calculations?
Journal of Chemical Information and Computer Sciences 30(4): 373-376 (1990) |