2005 |
10 | EE | Corneliu Buda,
Abul B. Kazi,
Adriana Dinescu,
Thomas R. Cundari:
Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods. Groups 11 and 12 Transition Metals.
Journal of Chemical Information and Modeling 45(4): 965-970 (2005) |
2002 |
9 | EE | Thomas R. Cundari,
Costel Sârbu,
Horia F. Pop:
Robust Fuzzy Principal Component Analysis (FPCA). A Comparative Study Concerning Interaction of Carbon-Hydrogen Bonds with Molybdenum-Oxo Bonds.
Journal of Chemical Information and Computer Sciences 42(6): 1363-1369 (2002) |
2001 |
8 | EE | Thomas R. Cundari,
Henry A. Kurtz,
Tie Zhou:
Modeling Intermolecular Effects on Nonlinear Optical Properties of Transition-Metal Complexes. An Effective Core Potential Study.
Journal of Chemical Information and Computer Sciences 41(1): 38-42 (2001) |
7 | EE | Thomas R. Cundari,
Marco Russo:
Database Mining Using Soft Computing Techniques. An Integrated Neural Network-Fuzzy Logic-Genetic Algorithm Approach.
Journal of Chemical Information and Computer Sciences 41(2): 281-287 (2001) |
2000 |
6 | EE | Thomas R. Cundari,
Jun Deng,
Horia F. Pop,
Costel Sârbu:
Structural Analysis of Transition Metal -X Substituent Interactions. Toward the Use of Soft Computing Methods for Catalyst Modeling.
Journal of Chemical Information and Computer Sciences 40(4): 1052-1061 (2000) |
1999 |
5 | EE | Thomas R. Cundari,
Jun Deng:
PM3(tm) Analysis of Transition-Metal Complexes.
Journal of Chemical Information and Computer Sciences 39(2): 376-381 (1999) |
1998 |
4 | EE | Thomas R. Cundari,
L. C. Saunders:
Modeling Lanthanide Coordination Complexes. Comparison of Semiempirical and Classical Methods.
Journal of Chemical Information and Computer Sciences 38(3): 523-528 (1998) |
3 | EE | Thomas R. Cundari,
Jun Deng,
Wentao Fu,
Thomas R. Klinckman,
Akihiko Yoshikawa:
Molecular Modeling of Catalysts and Catalytic Reactions.
Journal of Chemical Information and Computer Sciences 38(6): 941-948 (1998) |
2 | EE | Thomas R. Cundari,
Akihiko Yoshikawa:
Computational study of methane activation by mercury(II) complexes.
Journal of Computational Chemistry 19(8): 902-911 (1998) |
1997 |
1 | EE | Thomas R. Cundari,
Eddie W. Moody:
A Comparison of Neural Networks versus Quantum Mechanics for Inorganic Systems.
Journal of Chemical Information and Computer Sciences 37(5): 871-875 (1997) |