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2002

Substituent Effects upon Protonation-Induced Red Shift of Phenyl-Pyridine Copolymers, Steve Scheiner and T. Kar

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Substituent Effects upon Protonation-Induced Red Shift of Phenyl−Pyridine Copolymers, Steve Scheiner and T. Kar; Journal of Physical Chemistry B

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Comparison of Various Types of Hydrogen Bonds Involving Aromatic Amino Acids, Steve Scheiner, Tapas Kar, and Jayasree Pattanayak; Journal of the American Chemical Society

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; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

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; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

Using expectation maximization to obtain dielectric relaxation time spectra of aqueous montmorillonite clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

Using expectation maximization to obtain dielectric relaxation time spectra of aqueous montmorillonite clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

Optical Bleaching in Continuous Laser Excited Photothermal Lens Spectrometry, Agnes Chartier and Stephen E. Bialkowski; Applied Spectroscopy

Optical Bleaching in Continuous Laser Excited Photothermal Lens Spectrometry, Agnes Chartier and Stephen E. Bialkowski; Applied Spectroscopy

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; Biochimica et Biophysica Acta

Isotope effects in the study of enzymatic phosphoryl transfer reactions, Alvan C. Hengge; FEBS Letters

Role of Protein Conformational Mobility in Enzyme Catalysis - Acylation of α-Chymotrypsin by Specific Peptide Substrates, Alvan C. Hengge and Ross L. Stein; Biochemistry

Isotope Effects and Medium Effects on Sulfuryl Transfer Reactions, R. H. Hoff, P. Larsen, and Alvan C. Hengge; Journal of the American Chemical Society

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Proton Conduction by a Chain of Water Molecules in Carbonic Anhydrase, A. Isaev and Steve Scheiner; The Journal of Physical Chemistry B

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Insertion of Lithium Ions into Carbon Nanotubes: An ab Initio Study, T. Kar, J. Pattanayak, and Steve Scheiner; Journal of Physical Chemistry A

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Electronic structure and bonding in metal phthalocyanines, Metal=Fe, Co, Ni, Cu, Zn, Mg, M.-S. Liao and Steve Scheiner; Journal of Chemical Physics

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Boron−Nitrogen (BN) Substitution Patterns in C/BN Hybrid Fullerenes: C60-2x(BN)x (x = 1−7), J. Pattanayak, T. Kar, and Steve Scheiner; Journal of Physical Chemistry A

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; Biochemistry

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Influence of Hybridization and Substitution upon the Properties of the CH··O Hydrogen Bond, Steve Scheiner, S. J. Grabowski, and T. Kar; Journal of Physical Chemistry A

Strength of the C-H···O Hydrogen Bond of Amino Acid Residues, Steve Scheiner, T. Kar, and Y. Gu; Journal of Biological Chemistry

Comparison of Detection Limits and Relative Responses for Alternative Fluorocarbons by GC‐ECD, GCAED, and GC‐MS, Sonia R. Sousa and Stephen E. Bialkowski; Analytica Chimica Acta

Comparison of Detection Limits and Relative Responses for Alternative Fluorocarbons by GC‐ECD, GCAED, and GC‐MS, Sonia R. Sousa and Stephen E. Bialkowski; Analytica Chimica Acta

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; Journal of Molecular Structure

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; Bioorganic Chemistry

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; Biochemistry

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; Biochemistry

Structure, Stability and Bonding of (BC2N)n, n=2,3: An Ab Initio Study, T. Kar, M. Cuma, and Steve Scheiner; Journal of Medicinal Chemistry

Thermal Lens Calorimetry: A Novel Approach to the Study of Thermodynamics, George R. Long and Stephen E. Bialkowski; Chemical Educator

Thermal Lens Calorimetry: A Novel Approach to the Study of Thermodynamics, George R. Long and Stephen E. Bialkowski; Chemical Educator

Fractured Zone Plates for Spatial Separation of Frequencies, Richard D. Rallison and Stephen E. Bialkowski; Proceedings of the SPIE International Society of Optical Engineering

Fractured Zone Plates for Spatial Separation of Frequencies, Richard D. Rallison and Stephen E. Bialkowski; Proceedings of the SPIE International Society of Optical Engineering

Lanthanide Catalyzed Cyclization of Uridine 3'-p-Nitrophenyl Phosphate, M. A. Rishavy, Alvan C. Hengge, and W. W. Cleland; Bioorganic Chemistry

Calculation of Isotope Effects from First Principles, Steve Scheiner

CH···O Hydrogen Bonding, Steve Scheiner

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Theoretical Studies of Excited State Proton Transfer in Small Model Systems, Steve Scheiner; Journal of Physical Chemistry

Evaluation of the H-Bonding Properties of CH...O Interactions Based upon NMR Spectra, Steve Scheiner, Y. Gu, and T. Kar; Journal of Molecular Structure: TheoChem

1999

Using an Optical Novelty Filter to Enhance Contrast in Photothermal Refraction Spectrometry, Stephen E. Bialkowski; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

Using an Optical Novelty Filter to Enhance Contrast in Photothermal Refraction Spectrometry, Stephen E. Bialkowski; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

Methods for Modeling and Diagnosis of Nonlinear Absorption in Photothermal and Photoacoustic Spectrometry of Homogeneous Fluids, Stephen E. Bialkowski and Agnes Chartier; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

Methods for Modeling and Diagnosis of Nonlinear Absorption in Photothermal and Photoacoustic Spectrometry of Homogeneous Fluids, Stephen E. Bialkowski and Agnes Chartier; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

Using Slow Measurement Systems to Measure Fast Excited‐State Kinetics with Nonlinear Rate‐ Competitive Optical Bleaching, Stephen E. Bialkowski and Agnes Chartier; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

Using Slow Measurement Systems to Measure Fast Excited‐State Kinetics with Nonlinear Rate‐ Competitive Optical Bleaching, Stephen E. Bialkowski and Agnes Chartier; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

Using Sub‐Microliter Cylindrical Sample Cells for Photothermal Lens Spectrometry of Stable and Photo‐Labile Species, Stephen E. Bialkowski and Agnes Chartier; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

Using Sub‐Microliter Cylindrical Sample Cells for Photothermal Lens Spectrometry of Stable and Photo‐Labile Species, Stephen E. Bialkowski and Agnes Chartier; AIP Conference Proceedings: Photoacoustic and Photothermal Phenomena

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; Journal of the American Chemical Society

Effect of Adjoining Aromatic Ring upon Excited State Proton Transfer. o-Hydroxybenzaldehyde, M. Cuma, Steve Scheiner, and T. Kar; Journal of Molecular Structure: TheoChem

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; Third Workshop on Electromagnetic Wave Interactions with Moist Substances

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; Third Workshop on Electromagnetic Wave Interactions with Moist Substances

Effects of Chemical Substitution upon Excited State Proton Transfer. Fluoroderivatives of Salicylaldimine, M. Forés and Steve Scheiner; Chemical Physics

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Fundamental Properties of the CH...O Interaction: Is It a True Hydrogen Bond?, Yanliang Gu, Tapas Kar, and Steve Scheiner; Journal of the American Chemical Society

Insights from Heavy-Atom Isotope Effects on Phosphoryl and Thiophosphoryl Transfer Reactions, Alvan C. Hengge; Enzymatic Mechanisms

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; Journal of the American Chemical Society

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; Journal of the American Chemical Society

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Comparison of methods for calculating the properties of intramolecular hydrogen bonds. Excited state proton transfer, T. Kar, Steve Scheiner, and M. Cuma; Journal of Chemical Physics

Does Thermochemical Mimicry Extend to Gibbs Energies? The Differences of K+ and NH4+, and of Na+ and H3O+, J. F. Liebman and Steve Scheiner; Structural Chemistry

Comparison of the Reaction Progress of Calcineurin with Mn2+ and Mg2+, B. L. Martin, L. A. Jurado, and Alvan C. Hengge; Biochemistry

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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; Journal of the American Chemical Society

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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; Journal of Physical Chemistry

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; Israel Journal of Chemistry

Laser‐Excited Photothermal Lens Spectrometry in a Low‐Volume Cylindrical Sample Cell, Stephen E. Bialkowski; Israel Journal of Chemistry

Overcoming the Multiplex‐Disadvantage using Maximum‐Likelihood Inversion, Stephen E. Bialkowski; Applied Spectroscopy

Overcoming the Multiplex‐Disadvantage using Maximum‐Likelihood Inversion, Stephen E. Bialkowski; Applied Spectroscopy

Progress Toward a Better Understanding of Signal Generation Processes in the Laser‐Excited Photothermal Spectroscopy of Homogeneous Samples, Stephen E. Bialkowski; Trends in Analytical Chemistry

Progress Toward a Better Understanding of Signal Generation Processes in the Laser‐Excited Photothermal Spectroscopy of Homogeneous Samples, Stephen E. Bialkowski; Trends in Analytical Chemistry

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Competition between Rotamerization and Proton Transfer in o-Hydroxybenzaldehyde, Martin Cuma, Steve Scheiner, and Tapas Kar; Journal of the American Chemical Society

Effect of Nonproximate Atomic Substitution on Excited State Intramolecular Proton Transfer, M. Cuma, C. Thompson, and Steve Scheiner; Journal of Computational Chemistry

Transfer of the PO32- Group, Alvan C. Hengge; Comprehensive Biological Catalysis: a Mechanistic Reference

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; Journal of the American Chemical Society

A Facile High-Yield Synthesis and Purification of Tetrabutylammonium Tetrabutylborate, R. H. Hoff and Alvan C. Hengge; Journal of Organic Chemistry

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; Journal of Organic Chemistry

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Structure, Stability, and Bonding of BC2N: An Ab Initio Study, T. Kar, M. Cuma, and Steve Scheiner; Journal of Physical Chemistry

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; Journal of Molecular Structure: TheoChem

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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; Journal of Physical Chemistry

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Ionic Hydrogen Bonds in Bioenergetics. 3. Proton Transport in Membranes, Modeled by Ketone/Water Clusters, Michael Meot-Ner, Steve Scheiner, and Wa On Yu; Journal of the American Chemical Society

Inter- and Intramolecular Hydrogen Bonds with Transition Metal Atoms in Metallocenes of the Iron Subgroup, G. Orlova and Steve Scheiner; Organometallics

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Intermolecular H...H Bonding and Proton Transfer in Semisandwich Re and Ru Complexes, G. Orlova and Steve Scheiner; Journal of Physical Chemistry

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Intermolecular MH...HF Bonding in Monohydride Mo and W Complexes, G. Orlova and Steve Scheiner; Journal of Physical Chemistry

1997

Diffraction Effects in Single‐ and Two‐Laser Photothermal Lens Spectroscopy, Stephen E. Bialkowski and Agnes Chartier; Applied Optics

Diffraction Effects in Single‐ and Two‐Laser Photothermal Lens Spectroscopy, Stephen E. Bialkowski and Agnes Chartier; Applied Optics

Molecular Interactions at Octadecylated Chromatographic Surfaces, James W. Burns, Stephen E. Bialkowski, and David B. Marshall; Analytical Chemistry

Molecular Interactions at Octadecylated Chromatographic Surfaces, James W. Burns, Stephen E. Bialkowski, and David B. Marshall; Analytical Chemistry

Photothermal Lens Spectrometry of Homogeneous Fluids with Incoherent White‐Light Excitation Using a Cylindrical Sample Cell, Agnes Chartier and Stephen E. Bialkowski; Optical Engineering

Photothermal Lens Spectrometry of Homogeneous Fluids with Incoherent White‐Light Excitation Using a Cylindrical Sample Cell, Agnes Chartier and Stephen E. Bialkowski; Optical Engineering

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Influence of Isotopic Substitution on Strength of Hydrogen Bonds of Common Organic Groups, M. Cuma and Steve Scheiner; Journal of Physical Organic Chemistry

Isotope Effect Studies on the Calcineurin Phosphoryl- Transfer Reaction: Transition State Structure and Effect of Calmodulin and Mn+2, Alvan C. Hengge and B. L. Martin; Biochemistry

Examination of the Transition State of the Low- Molecular Mass Small Tyrosine Phosphatase 1. Comparisons with Other Protein Phosphatases, Alvan C. Hengge, Y. Zhao, L. Wu, and Z. Y. Zhang; Biochemistry

Kinetic Isotope Effects for Acyl Transfer from p- Nitrophenyl Acetate to Hydroxylamine Show a pH-Dependent Change in Mechanism, R. A. Hess, Alvan C. Hengge, and W. W. Cleland; Journal of the American Chemical Society

BN-Naphthalene and Carbon-Containing Derivatives: An Ab Initio Study, T. Kar, D. E. Elmore, and Steve Scheiner; Journal of Molecular Structure: TheoChem

Structure, Energetics and Vibrational Spectra of Dimers, Trimers, and Tetramers of HX (X = Cl, Br, I), Z. Latajka and Steve Scheiner; Chemical Physics

Heavy-Atom Isotope Effects on Reactions of Co(III)-Bound p-Nitrophenyl Phosphate: Nucleophilic Displacements of p-Nitrophenol and Dissociation of p-Nitrophenyl Phosphate, J. Rawlings, Alvan C. Hengge, and W. W. Cleland; Journal of the American Chemical Society

Hydrogen Bonding. A Theoretical Perspective, Steve Scheiner

Molecular Interactions. From van der Waals to Strongly Bound Complexes, Steve Scheiner

Review of: Theoretical & Physical Principles of Organic Reactivity, by Addy Pross, Steve Scheiner; Journal of Molecular Structure: TheoChem

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Excited State Intramolecular Proton Transfer in Anionic Analogues of Malonaldehyde, Steve Scheiner, T. Kar, and M. Cuma; Journal of Physical Chemistry

Temperature‐Dependent Electron Capture Detector Response to Common Alternative Fluorocarbons, Sonia R. Sousa and Stephen E. Bialkowski; Analytical Chemistry

Temperature‐Dependent Electron Capture Detector Response to Common Alternative Fluorocarbons, Sonia R. Sousa and Stephen E. Bialkowski; Analytical Chemistry