Thomas R. Cundari

发表

Structural Analysis of Transition Metal -X Substituent Interactions. Toward the Use of Soft Computing Methods for Catalyst Modeling

Jun Deng, Thomas R. Cundari, Horia F. Pop, 2000, J. Chem. Inf. Comput. Sci..

Computational study of methane activation by mercury(II) complexes

Thomas R. Cundari, Akihiko Yoshikawa, T. Cundari, 1998, J. Comput. Chem..

Appendix G: Mathematical Aspects of the Replica Formalism

Thomas R. Cundari, Kenny B. Lipkowitz, 2007 .

A Comparison of Neural Networks versus Quantum Mechanics for Inorganic Systems

Thomas R. Cundari, Eddie W. Moody, T. Cundari, 1997, J. Chem. Inf. Comput. Sci..

Molecular Modeling of Catalysts and Catalytic Reactions

Jun Deng, Thomas R. Cundari, Akihiko Yoshikawa, 1998, J. Chem. Inf. Comput. Sci..

CO2-Formatics: How Do Proteins Bind Carbon Dioxide?

Thomas R. Cundari, Angela K. Wilson, Michael L. Drummond, 2009, J. Chem. Inf. Model..

PM3(tm) Analysis of Transition-Metal Complexes

Jun Deng, Thomas R. Cundari, T. Cundari, 1999, J. Chem. Inf. Comput. Sci..

Modeling Intermolecular Effects on Nonlinear Optical Properties of Transition-Metal Complexes. An Effective Core Potential Study

Thomas R. Cundari, Tie Zhou, Henry A. Kurtz, 2001, J. Chem. Inf. Comput. Sci..

Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods. Groups 11 and 12 Transition Metals

Thomas R. Cundari, Corneliu Buda, Abul B. Kazi, 2005, J. Chem. Inf. Model..

Database Mining Using Soft Computing Techniques. An Integrated Neural Network-Fuzzy Logic-Genetic Algorithm Approach

Thomas R. Cundari, Marco Russo, T. Cundari, 2001, J. Chem. Inf. Comput. Sci..

Modeling Lanthanide Coordination Complexes. Comparison of Semiempirical and Classical Methods

Thomas R. Cundari, L. C. Saunders, T. Cundari, 1998, J. Chem. Inf. Comput. Sci..

Multiscale Modeling of Solutions

Thomas R. Cundari, Sandra K. S. Boetcher, Olayinka Olatunji-Ojo, 2011 .

Robust Fuzzy Principal Component Analysis (FPCA). A Comparative Study Concerning Interaction of Carbon-Hydrogen Bonds with Molybdenum-Oxo Bonds

Thomas R. Cundari, Horia F. Pop, Costel Sârbu, 2002, J. Chem. Inf. Comput. Sci..

Quantum modeling of lanthanide complexes on parallel supercomputers

Thomas R. Cundari, L. A. Strohecker, 1994, Proceedings of IEEE Scalable High Performance Computing Conference.

Reduced variational space analysis of methane adducts

Thomas R. Cundari, Thomas R. Klinckman, T. Cundari, 1998 .

Effective core potential studies of lanthanide complexes

Thomas R. Cundari, L. A. Strohecker, T. Cundari, 1995 .

Genetic algorithm optimization of a molecular mechanics force field for technetium

Thomas R. Cundari, Wentao Fu, T. Cundari, 2000 .

Theoretical investigations of olefin metathesis catalysts

Mark S. Gordon, Thomas R. Cundari, M. Gordon, 1992 .

Effective core potential methods for the lanthanides

Thomas R. Cundari, W. J. Stevens, T. Cundari, 1993 .

Reviews in Computational Chemistry, Reviews in Computational Chemistry

Thomas R. Cundari, Donald B. Boyd, Kenneth B. Lipkowitz, 2000 .

Robust Fuzzy Principal Component Analysis (FPCA). A Comparative Study Concerning Interaction of Carbon—Hydrogen Bonds with Molybdenum—Oxo Bonds.

Thomas R. Cundari, Horia F. Pop, Costel Sarbu, 2003 .

Towards the intrinsic error of the correlation consistent Composite Approach (ccCA)

Thomas R. Cundari, Brent R. Wilson, Nathan J. DeYonker, 2009 .

MOLECULAR MECHANICS FORCE FIELD FOR PLATINUM COORDINATION COMPLEXES

Thomas R. Cundari, Wentao Fu, Eddie W. Moody, 1996 .

An intermediate neglect of differential overlap model for second-row transition metal species

Thomas R. Cundari, Michael C. Zerner, M. Zerner, 1991 .

PM3(tm) parameterization using genetic algorithms

Jun Deng, Thomas R. Cundari, Wentao Fu, 2000 .

Function of Conserved Residues of Human Glutathione Synthetase

Thomas R. Cundari, T. Cundari, Jia-li Luo, 2004, Journal of Biological Chemistry.

High-valent transition-metal alkylidene complexes : effect of ligand and substituent modification

Mark S. Gordon, Thomas R. Cundari, M. Gordon, 1992 .

Hybrid QM/MM study of propene insertion into the RhH bond of HRh(PPh3)2(CO)(η2-CH2CHCH3): the role of the olefin adduct in determining product selectivity

Thomas R. Cundari, Stephen A. Decker, 2001 .

A comparative study of the bonding in heteroatom analogues of benzene

Mark S. Gordon, Michael W. Schmidt, Thomas R. Cundari, 1992 .

Design of a Propane Ammoxidation Catalyst Using Artificial Neural Networks and Genetic Algorithms

Thomas R. Cundari, Yong Zhao, T. Cundari, 2001 .

Thermal conduction analysis of layered functionally graded materials

Thomas R. Cundari, Sandra K. S. Boetcher, T. Cundari, 2012 .

Transition Metal Imido Complexes

Thomas R. Cundari, T. Cundari, 1992 .