Submissions from 1998
Molecular Dynamics Simulation of a PNA·DNA·PNA Triple Helix in Aqueous Solution, George C. Shields, Charles A. Laughton, and Modesto Orozco
Submissions from 1997
Molecular Dynamics Simulations of the d(TAT) Triple Helix, George C. Shields, Charles A. Laughton, and Modesto Orozco
Comparison of Experimental and Theoretical Structures of a Transition State Analogue Used for the Induction of Anti-Cocaine Catalytic Antibodies, George C. Shields, Edward C. Sherer, Ginger Yang, and Gordon M. Turner
Submissions from 1996
Quantum Mechnical Investion of Cyclic 3',5'- Adenosine Monophosphate, the Second Hormonal Messenger, George C. Shields and Karl N. Kirschner
Use of the Supermolecule Approach To Model the Syn and Anti Conformations of Solvated Cyclic 3‘,5‘-Adenosine Monophosphate, George C. Shields, Karl N. Kirschner, and Edward C. Sherer
A Semiempirical Transition State Structure for the First Step in the Alkaline Hydrolysis of Cocaine. Comparison between the Transition State Structure, the Phosphonate Monoester Transition State Analog, and a Newly Designed Thiophosphonate Transition State Analog, George C. Shields, Edward C. Sherer, Gordon M. Turner, Tricia N. Lively, and Donald W. Landry
Submissions from 1995
Semiempirical Study of the Bergman Reaction: Towards a Computationally Efficient and Accurate Method for Modeling Enediyne Anticancer Antibiotics, George C. Shields and Heather A. Brummel
Investigation of the Potential Energy Surface for the First Step in the Alkaline Hydrolysis of Methyl Acetate, George C. Shields, Edward C. Sherer, and Gordon M. Turner
A Computationally Efficient Procedure for Modeling the First Step in the Alkaline Hydrolysis of Esters, George C. Shields, Gordon M. Turner, and Edward C. Sherer
Submissions from 1994
The Physical Chemistry Sequence at Liberal Arts Colleges The Lake Forest College Approach, George C. Shields
Hydrogen bonding of nucleotide base pairs: Application of the PM3 method, George C. Shields, Marcus W. Jurema, and Tricia N. Lively
Using the Franck-Hertz Experiment To Illustrate Quantization Energy States of the Neon Atom by Electron Impact, George C. Shields and Michael M. Kash
Quantum-Mechanical Investigation of Large Water Clusters, George C. Shields and Karl N. Kirschner
Submissions from 1993
Ability of the PM3 Quantum Mechanical Method to Model Intermolecular Hydrogen Bonding between Neutral Molecules, George C. Shields and Marcus W. Jurema
Modeling of Magic Water Clusters(H20)2 and (H20)21H+ with the PM3 Quantum-Mechanical Method, George C. Shields, Marcus W. Jurema, and Karl N. Kirschner
Submissions from 1992
Experiment in Quantization: Atomic Line Spectra, George C. Shields and Michael M. Kash
Submissions from 1991
Crystal structure of a CAP-DNA complex: the DNA is bent by 90 degrees, Georgia H. Kalkanis and George C. Shields
AM1 and PM3 Calculations of the Potential Energy Surfaces for CH2OH Reactions with NO and NO2, George C. Shields and Georgia H. Kalkanis
Submissions from 1990
Crystallization of Escherichia coli Catabolite Gene Activator Protein with its DNA Binding Site: The use of Modular DNA, Steve C. Schultz, George C. Shields, and Thomas A. Steitz
Submissions from 1987
Doubly charged ion mass spectra of alkyl-substituted furans and pyrroles, P.R. Nelson, C.A. Fung Kee Fung, J.B. Sedgwick, George C. Shields, L.E. Abbey, and T.F. Moran
Competition between single and double electron transfer in collisions of doubly charged molecular pyrrole ions with neutral pyrrole molecules, J.B. Sedgwick, B.P. Paulson, George C. Shields, and T.F. Moran
Charge transfer reactions of organic ions containing oxygen: Correlation between reaction energetics and cross sections, George C. Shields, P.A. Steiner IV, P.R. Nelson, M.C. Trauner, and T.F. Moran
Structural Studies of Three DNA Binding Proteins: Catabolite Gene Activator Protein, Resolvase, and the Klenow Fragment of DNA Polymerase I, T.A. Steitz, L. Beese, B. Engelman, P. Freemont, J. Friedman, M. Sanderson, S. Schultz, George C. Shields, and J. Warwicker
Submissions from 1986
Evidence for Long-lived Excited States of CnH22+ Carbodications, J.R. Appling, George C. Shields, and T.F. Moran
Doubly-charged ethane ions: Solution to the dilemma of stability predicted by theory and instability observed in experiment, George C. Shields and T.F. Moran