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2004
A Mechanistic Study of the Alkaline Hydrolysis of Diaryl Sulfate Diesters, J. M. Younker and Alvan C. Hengge
2003
Steady‐State Absorption Rate Models for Use in Relaxation Rate Studies with Continuous Laser Excited Photothermal Lens Spectrometry, Stephen E. Bialkowski
Comparisons of Phosphorothioate with Phosphate Transfer Reactions for a Monoester, Diester and Triester: Isotope Effect Studies, I. E. Catrina and Alvan C. Hengge
Low Frequency Impedance Behavior of Montmorillonite Suspensions: Polarization Mechanisms in the Low Frequency Domain, Lynn M. Dudley, Stephen E. Bialkowski, Dani Or, and Chad Junkermeier
Transition State Differences in Hydrolysis Reactions of Alkyl versus Aryl Phosphate Monoester Monoanions, P. K. Grzyska, P. G. Czyryca, J. Purcell, and Alvan C. Hengge
Kinases, Alvan C. Hengge
Phosphatases, Alvan C. Hengge
Rules for BN-Substitution in BCN-Fullerenes. Separation of BN and C Domains, Tapas Kar, Jayasree Pattanayak, and Steve Scheiner
Comparison between hydrogen and dihydrogen bonds among H3BNH3, H2BNH2, and NH3, T. Kar and Steve Scheiner
A DFT/TDDFT Study of Group 4A Metal Porphyrins, Meng-Sheng Liao and Steve Scheiner
DFT Calculations and Spectral Measurements of Charge-Transfer Complexes Formed by Aromatic Amines and Nitrogen Heterocycles with Tetracyanoethylene and Chloranil, M.-S. Liao, Y. Lu, V. D. Parker, and Steve Scheiner
Performance Assessment of Density-Functional Methods for Study of Charge-Transfer Complexes, M.-S. Liao, Y. Lu, and Steve Scheiner
Comparison of BN and AlN Substitution on the Structure and Properties of C60 Fullerene, J. Pattanayak, T. Kar, and Steve Scheiner
A Comparison of Phosphonothioic Acids with Phosphonic Acids as Phosphatase Inhibitors, K. Swierczek, A. S. Pandey, J. Peters, and Alvan C. Hengge
A convenient synthesis of phosphonothioic acids, K. Swierczek, J. Peters, and Alvan C. Hengge
2002
Using an Expectation‐Maximization Algorithm to Obtain Dielectric Relaxation Time Spectra of Aqueous Montmorillonite Clay Suspensions, Stephen E. Bialkowski, Lynn Dudley, and Dani Or
Isotope effects on enzymatic and nonenzymatic reactions of phosphorothioates, I. E. Catrina, P. G. Czyryca, and Alvan C. Hengge
Photothermal Spectrometry in Small Liquid Channels, Agnes B. Chartier and Stephen E. Bialkowski
Generality of Solvation Effects on the Hydrolysis Rates of Phosphate Monoesters, and Their Possible Relevance to Enzymatic Catalysis, P. K. Grzyska, P. G. Czyryca, J. Golightly, K. Small, P. Larsen, R. H. Hoff, and Alvan C. Hengge
Isotope Effects In the Study of Phosphoryl and Sulfuryl Transfer Reactions, Alvan C. Hengge
An Altered Mechanism of Hydrolysis for a Metal-Complexed Phosphate Diester, T. Humphry, M. Forconi, N. H. Williams, and Alvan C. Hengge
A Comparative Study of Metal-Porphyrins, -Porphyrazines, and -Phthalocyanines, M.-S. Liao and Steve Scheiner
Electronic structure and bonding in metal porphyrins, metal=Fe, Co, Ni, Cu, Zn, M.-S. Liao and Steve Scheiner
Electronic structure and bonding in unligated and ligated FeII porphyrins, M.-S. Liao and Steve Scheiner
Relativistic Effects in Iron-, Ruthenium-, and Osmium Porphyrins, M.-S. Liao and Steve Scheiner
The catalytic mechanism of Cdc25A phosphatase, D. F. McCain, I. E. Catrina, Alvan C. Hengge, and Z. Y. Zhang
Boron-Nitrogen (BN) Substitution of Fullerenes: C60 to C12B24N24 CBN Ball, J. Pattanayak, T. Kar, and Steve Scheiner
Metal ion catalyzed hydrolysis of ethyl pnitrophenyl phosphate, J. Rawlings, W. W. Cleland, and Alvan C. Hengge
Acetylene as Potential Hydrogen-Bond Proton Acceptor, Steve Scheiner and S. J. Grabowski
Red- versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions?, Steve Scheiner and T. Kar
Substituent Effects upon Protonation-Induced Red Shift of Phenyl-Pyridine Copolymers, Steve Scheiner and T. Kar
Substituent Effects upon Protonation-Induced Red Shift of Phenyl−Pyridine Copolymers, Steve Scheiner and T. Kar
Comparison of Various Types of Hydrogen Bonds Involving Aromatic Amino Acids, Steve Scheiner, Tapas Kar, and Jayasree Pattanayak
Electronic Structure and Bonding in Metal Porphyrins and Phthalocyanines, Steve Scheiner and M.-S. Liao
2001
Modeling Maxwell‐Wagner and diffuse double layer polarization in low frequency impedance spectra of clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or
Using expectation maximization to obtain dielectric relaxation time spectra of aqueous montmorillonite clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or
Optical Bleaching in Continuous Laser Excited Photothermal Lens Spectrometry, Agnes Chartier and Stephen E. Bialkowski
The mechanism of the phosphoryl transfer catalyzed by Yersinia protein-tyrosine phosphatase: a computational and isotope effect study, P. G. Czyryca and Alvan C. Hengge
Isotope effects in the study of enzymatic phosphoryl transfer reactions, Alvan C. Hengge
Role of Protein Conformational Mobility in Enzyme Catalysis - Acylation of α-Chymotrypsin by Specific Peptide Substrates, Alvan C. Hengge and Ross L. Stein
Isotope Effects and Medium Effects on Sulfuryl Transfer Reactions, R. H. Hoff, P. Larsen, and Alvan C. Hengge
Proton Conduction by a Chain of Water Molecules in Carbonic Anhydrase, A. Isaev and Steve Scheiner
Insertion of Lithium Ions into Carbon Nanotubes: An ab Initio Study, T. Kar, J. Pattanayak, and Steve Scheiner
Electronic structure and bonding in metal phthalocyanines, Metal=Fe, Co, Ni, Cu, Zn, Mg, M.-S. Liao and Steve Scheiner
Boron−Nitrogen (BN) Substitution Patterns in C/BN Hybrid Fullerenes: C60-2x(BN)x (x = 1−7), J. Pattanayak, T. Kar, and Steve Scheiner
Transition state analysis and requirement of Asp-262 general acid/base catalyst for full activation of dual-specificity phosphatase MKP3 by extracellular regulated kinase, J. D. Rigas, R. H. Hoff, A. E. Rice, Alvan C. Hengge, and J. M. Denu
Influence of Hybridization and Substitution upon the Properties of the CH··O Hydrogen Bond, Steve Scheiner, S. J. Grabowski, and T. Kar
Strength of the C-H···O Hydrogen Bond of Amino Acid Residues, Steve Scheiner, T. Kar, and Y. Gu
Comparison of Detection Limits and Relative Responses for Alternative Fluorocarbons by GC‐ECD, GCAED, and GC‐MS, Sonia R. Sousa and Stephen E. Bialkowski
Analytic function fit of potential energy of proton transfer in N2H7+, Rong-Shun Wang, Xiu-Mei Pan, Zhong-Min Su, and Steve Scheiner
2000
Comparison of the CH...N and CH...O Interactions Involving Substituted Alkanes, Y. Gu, T. Kar, and Steve Scheiner
Kinetic isotope effects and stereochemical studies on a ribonuclease model: Hydrolysis reactions of uridine 3 '-pnitrophenyl phosphate, Alvan C. Hengge, K. S. Bruzik, A. E. Tobin, W. W. Cleland, and M. D. Tsai
Effects on General Acid Catalysis from Mutations of the Invariant Tryptophan and Arginine Residues in the Protein Tyrosine Phosphatase from Yersinia, R. H. Hoff, Alvan C. Hengge, L. Wu, Y. F. Keng, and Z. Y. Zhang
Mutation of Arg-166 of Alkaline Phosphatase Alters the Thio Effect but Not the Transition State for Phosphoryl Transfer. Implications for the Interpretation of Thio Effects in Reactions of Phosphatases, K. M. Holtz, I. E. Catrina, Alvan C. Hengge, and E. R. Kantrowitz
Structure, Stability and Bonding of (BC2N)n, n=2,3: An Ab Initio Study, T. Kar, M. Cuma, and Steve Scheiner
Thermal Lens Calorimetry: A Novel Approach to the Study of Thermodynamics, George R. Long and Stephen E. Bialkowski
Fractured Zone Plates for Spatial Separation of Frequencies, Richard D. Rallison and Stephen E. Bialkowski
Lanthanide Catalyzed Cyclization of Uridine 3'-p-Nitrophenyl Phosphate, M. A. Rishavy, Alvan C. Hengge, and W. W. Cleland
Calculation of Isotope Effects from First Principles, Steve Scheiner
CH···O Hydrogen Bonding, Steve Scheiner
Theoretical Studies of Excited State Proton Transfer in Small Model Systems, Steve Scheiner
Evaluation of the H-Bonding Properties of CH...O Interactions Based upon NMR Spectra, Steve Scheiner, Y. Gu, and T. Kar
1999
Using an Optical Novelty Filter to Enhance Contrast in Photothermal Refraction Spectrometry, Stephen E. Bialkowski
Methods for Modeling and Diagnosis of Nonlinear Absorption in Photothermal and Photoacoustic Spectrometry of Homogeneous Fluids, Stephen E. Bialkowski and Agnes Chartier
Using Slow Measurement Systems to Measure Fast Excited‐State Kinetics with Nonlinear Rate‐ Competitive Optical Bleaching, Stephen E. Bialkowski and Agnes Chartier
Using Sub‐Microliter Cylindrical Sample Cells for Photothermal Lens Spectrometry of Stable and Photo‐Labile Species, Stephen E. Bialkowski and Agnes Chartier
Comparisons of Phosphorothioate and Phosphate Monoester Transfer Reactions: Activation Parameters, Solvent Effects, and the Effect of Metal Ions, I. E. Catrina and Alvan C. Hengge
Effect of Adjoining Aromatic Ring upon Excited State Proton Transfer. o-Hydroxybenzaldehyde, M. Cuma, Steve Scheiner, and T. Kar
Low frequency behavior of colloidal suspensions. Modeling Maxwell‐Wagner and diffuse double layer polarization in low frequency impedance spectra of clay suspensions, Lynn M. Dudley, Dani Or, Stephen E. Bialkowski, and Chad Junkermeier
Effects of Chemical Substitution upon Excited State Proton Transfer. Fluoroderivatives of Salicylaldimine, M. Forés and Steve Scheiner
Fundamental Properties of the CH...O Interaction: Is It a True Hydrogen Bond?, Yanliang Gu, Tapas Kar, and Steve Scheiner
Insights from Heavy-Atom Isotope Effects on Phosphoryl and Thiophosphoryl Transfer Reactions, Alvan C. Hengge
The Transition State of the Phosphoryl Transfer Reaction Catalyzed by the Lambda Ser/Thr Protein Phosphatase, R. H. Hoff, P. Mertz, F. Rusnak, and Alvan C. Hengge
Does Positive Charge at the Active Sites of Phosphatases Cause a Change in Mechanism? The Effect of the Conserved Arginine on the Transition State for Phosphoryl Transfer In the Protein-tyrosine Phosphatase from Yersinia, R. H. Hoff, L. Wu, B. Zhou, Z. Y. Zhang, and Alvan C. Hengge
Comparison of methods for calculating the properties of intramolecular hydrogen bonds. Excited state proton transfer, T. Kar, Steve Scheiner, and M. Cuma
Does Thermochemical Mimicry Extend to Gibbs Energies? The Differences of K+ and NH4+, and of Na+ and H3O+, J. F. Liebman and Steve Scheiner
Comparison of the Reaction Progress of Calcineurin with Mn2+ and Mg2+, B. L. Martin, L. A. Jurado, and Alvan C. Hengge
Ionic Hydrogen Bond Effects on the Acidities, Basicities, Solvation, Solvent Bridging, and Self-Assembly of Carboxylic Groups, Michael Meot-Ner, Donald E. Elmore, and Steve Scheiner
Activation and Cleavage of H-R Bonds through Intermolecular H...H Bonding upon Reaction of Proton Donors HR with 18-Electron Transition Metal Hydrides, G. Orlova, Steve Scheiner, and T. Kar
Fundamental Features of Hydrogen Bonds, Steve Scheiner
Proton Transfers in Biological Systems, Steve Scheiner
1998
Laser‐Excited Photothermal Lens Spectrometry in a Low‐Volume Cylindrical Sample Cell, Stephen E. Bialkowski
Overcoming the Multiplex‐Disadvantage using Maximum‐Likelihood Inversion, Stephen E. Bialkowski
Progress Toward a Better Understanding of Signal Generation Processes in the Laser‐Excited Photothermal Spectroscopy of Homogeneous Samples, Stephen E. Bialkowski
Competition between Rotamerization and Proton Transfer in o-Hydroxybenzaldehyde, Martin Cuma, Steve Scheiner, and Tapas Kar
Effect of Nonproximate Atomic Substitution on Excited State Intramolecular Proton Transfer, M. Cuma, C. Thompson, and Steve Scheiner
Transfer of the PO32- Group, Alvan C. Hengge
Isotope Effects on Enzyme-Catalyzed Acyl Transfer from p-Nitrophenyl Acetate: Concerted Mechanisms and Increased Hyperconjugation in the Transition State, R. A. Hess, Alvan C. Hengge, and W. W. Cleland
A Facile High-Yield Synthesis and Purification of Tetrabutylammonium Tetrabutylborate, R. H. Hoff and Alvan C. Hengge
Entropy and Enthalpy Contributions to Solvent Effects on Phosphate Monoester Solvolysis. The Importance of Entropy Effects in the Dissociative Transition State, R. H. Hoff and Alvan C. Hengge
Structure, Stability, and Bonding of BC2N: An Ab Initio Study, T. Kar, M. Cuma, and Steve Scheiner
Ab Initio Calculations of Hardness and Chemical Potential of Open Shell Systems Using SCF, MP2, and MP4 Methods, T. Kar, Steve Scheiner, and A. B. Sannigrahi
Hardness and Chemical Potential Profiles for Some Open Shell HAB → HBA Type Reactions. Ab Initio and Density Functional Study, T. Kar, Steve Scheiner, and A. B. Sannigrahi
Ionic Hydrogen Bonds in Bioenergetics. 3. Proton Transport in Membranes, Modeled by Ketone/Water Clusters, Michael Meot-Ner, Steve Scheiner, and Wa On Yu
Inter- and Intramolecular Hydrogen Bonds with Transition Metal Atoms in Metallocenes of the Iron Subgroup, G. Orlova and Steve Scheiner
Intermolecular H...H Bonding and Proton Transfer in Semisandwich Re and Ru Complexes, G. Orlova and Steve Scheiner
Intermolecular MH...HF Bonding in Monohydride Mo and W Complexes, G. Orlova and Steve Scheiner
1997
Diffraction Effects in Single‐ and Two‐Laser Photothermal Lens Spectroscopy, Stephen E. Bialkowski and Agnes Chartier
Molecular Interactions at Octadecylated Chromatographic Surfaces, James W. Burns, Stephen E. Bialkowski, and David B. Marshall
Photothermal Lens Spectrometry of Homogeneous Fluids with Incoherent White‐Light Excitation Using a Cylindrical Sample Cell, Agnes Chartier and Stephen E. Bialkowski
