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1999

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

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

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 PhosphorylTransfer Reaction Catalyzed by the Lambda Ser/Thr Protein Phosphatase, Richard H. Hoff, Pamela Mertz, Frank Rusnak, and Alvan C. Hengge; Journal of the American Chemical Society

Does Positive Charge at the ActiveSites of Phosphatases Cause a Change in Mechanism? The Effect of the Conserved Arginine on theTransition State for Phosphoryl Transfer In the Protein-tyrosine Phosphatase from Yersinia, Richard H. Hoff, Li Wu, Bo 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 Calcineurinwith Mn2+ and Mg2+, B. L. Martin, L. A. Jurado, and Alvan C. Hengge; Biochemistry

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

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‐ExcitedPhotothermal Spectroscopy of Homogeneous Samples, Stephen E. Bialkowski; Trends in Analytical Chemistry

Competition between Rotamerization and Proton Transfer in o-Hydroxybenzaldehyde, Martin Čuma, 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 AcylTransfer from p-Nitrophenyl Acetate: Concerted Mechanisms and Increased Hyperconjugation inthe Transition State, Robert A. Hess, Alvan C. Hengge, and W. W. Cleland; Journal of the American Chemical Society

Entropy and Enthalpy Contributions to Solvent Effects onPhosphate Monoester Solvolysis. The Importance of Entropy Effects in the Dissociative TransitionState, R. H. Hoff and Alvan C. Hengge; Journal of Organic Chemistry

A Facile High-Yield Synthesis and Purification ofTetrabutylammonium Tetrabutylborate, Richard 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

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

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 ExcitationUsing 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- TransferReaction: Transition State Structure and Effect of Calmodulin and Mn+2, Alvan C. Hengge and Bruce 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, Robert 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, Tapas Kar, Donald 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 ofCo(III)-Bound p-Nitrophenyl Phosphate: Nucleophilic Displacements of p-Nitrophenol andDissociation 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

O-18 Isotope Effects Support a ConcertedMechanism for Ribonuclease A, Gwendolyn A. Sowa, Alvan C. Hengge, and W. W. Cleland; Journal of the American Chemical Society

1996

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Characterization of ground and excited electronic state deprotonation energies of systems containing double bonds using natural bond orbital analysis, J. K. Badenhoop and Steve Scheiner; Journal of Chemical Physics

Photothermal Spectroscopy Methods for Chemical Analysis, Stephen E. Bialkowski; Chemical Analysis

Sub‐Shot‐Noise Light Sources: A Quiet Revolution in Light Control, Stephen E. Bialkowski; Critical Reviews in Analytical Chemistry

Characterization of Transition States in Dichloro (1,4,7-Triazacyclononane) Copper (II)-Catalyzed Activated Phosphate Diester Hydrolysis, Kim A. Deal, Alvan C. Hengge, and Judith N. Burstyn; Journal of the American Chemical Society

Transition-State Structures for the Native Dual-SpecificPhosphatase VHR and D92N and S131A Mutants, Contributions to the Driving Force forCatalysis, Alvan C. Hengge, John M. Denu, and Jack E. Dixon; Biochemistry

Three-Center Bond Index Profiles, T. Kar and Steve Scheiner; Journal of Molecular Structure: TheoChem

Influence of Electron Correlation Effects on Calculated Properties and Vibrational Spectra of FF...NH3 and FCl...NH3 charge transfer complexes, Z. Latajka, Steve Scheiner, Y. Bouteiller, and H. Ratajczak; Journal of Molecular Structure

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Complexing of the Ammonium Ion by Polyethers. Comparative Complexing Thermochemistry of Ammonium, Hydronium and Alkali Ions, M. Meot-Ner, L. W. Sieck, J. F. Liebman, and Steve Scheiner; Journal of Physical Chemistry

Relative Stability of Hydrogen and Deuterium Bonds, Steve Scheiner and Martin Čuma; Journal of the American Chemical Society

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The Proton Transfer Properties of Imidazole, Steve Scheiner and M. Yi; Journal of Physical Chemistry

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Proton Transfer between Phenol and Ammonia in Ground and Excited Electronic States, M. Yi and Steve Scheiner; Chemical Physics Letters

1995

Site-Site Function and Successive Reaction Counterpoise Calculation of Basis Set Superposition Error for Proton Transfer, A. J. Abkowicz, Z. Latajka, Steve Scheiner, and G. Chalasinski; Journal of Molecular Structure: TheoChem

Obtaining Accurate Measurements of Organic Dye Solutions using Pulsed Laser PhotothermalDeflection Spectroscopy, Agnès Chartier and Stephen E. Bialkowski; Analytical Chemistry

Mechanisms of Phosphoryl and Acyl Transfer, W. W. Cleland and Alvan C. Hengge; The FASEB Journal

Ab Initio Study of the Structure of Guanine-Cytosine Base Pair Conformers in Gas Phase and Polar Solvents, Jan Florián, Jerzy Leszczyński, and Steve Scheiner

Concerted or Stepwise Mechanisms for Acyl Transfer Reactions of p-Nitrophenyl Acetate? Transition State Structures from Isotope Effects, Alvan C. Hengge and Robert A. Hess; Journal of the American Chemical Society

The Nature of the Transition State of the Protein-Tyrosine Phosphatase-Catalyzed Reaction, Alvan C. Hengge, Gwendolyn A. Sowa, Li Wu, and Zhong-Yin Zhang; Biochemistry

Studies of Transition-State Structures in PhosphorylTransfer Reactions of Phosphodiesters of p-Nitrophenol, Alvan C. Hengge, Aleksandra E. Tobin, and W. W. Cleland; Journal of the American Chemical Society

Proton and Lithium Ion Transfer between Two Water Molecules with an External Restraining Force, Tapas Kar and Steve Scheiner; Journal of the American Chemical Society

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Hardness Profiles of Some 1,2-Hydrogen Shift Reactions, T. Kar and Steve Scheiner; Journal of Physical Chemistry

Proton Transfer in H5O2+ and H3O2- with an External Restraining Force, T. Kar and Steve Scheiner; International Journal of Quantum Chemistry

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Critical Assessment of Density Functional Methods for Study of Proton Transfer Processes (FHF)-, Zdzisław Latajka, Yves Bouteiller, and Steve Scheiner; Chemical Physics Letters

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Proton Transfer in Ground and Excited Electronic States of Glyoxalmonohydrazine, K. Luth and Steve Scheiner; Journal of Physical Chemistry

Detection of Dityrosine in Apoferritin, Sahar F. Mahmoud and Stephen E. Bialkowski; Applied Spectroscopy

Laser Excited Fluorescence of Dityrosine, Sahar F. Mahmoud and Stephen E. Bialkowski; Applied Spectroscopy

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Transfer of a Proton between N atoms in Excited Electronic States of 1,5-Diaza-1,3-Pentadiene, C. Rovira and Steve Scheiner; Journal of Physical Chemistry

Comparison of Lithium and Hydrogen Bonds, Steve Scheiner

The Nonexistence of Specially Stabilized Hydrogen Bonds in Enzymes, Steve Scheiner and Tapas Kar; Journal of the American Chemical Society

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Hydrogen Bonding and Proton Transfer in the Ground and Lowest Excited Singlet States of o-Hydroxyacetophenone, M. V. Vener and Steve Scheiner; Journal of Physical Chemistry

1994

Optical Bleaching Kinetics of Ethylene Observed with Pulsed Infrared Laser Excited PhotothermalLens Spectrometry, Stephen E. Bialkowski and Z. F. He; Longer Wavelength Lasers and Applications SPIE Proceedings

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Ab initio study of He(1S)+Cl2(X 1Σg,3Πu) potential energy surfaces, G. Chalasinski, M. Gutowski, M. M. Szczesniak, and Steve Scheiner; Journal of Chemical Physics

Variation of Atomic Charges during Proton Transfer in Hydrogen Bonds, J. Florian and Steve Scheiner; Journal of Computational Chemistry

Transition-State Structures for Phosphoryl- TransferReactions of p-Nitrophenyl Phosphate, Alvan C. Hengge, William A. Edens, and Hannah Elsing; Journal of the American Chemical Society

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Excited State Energetics and Proton Transfer Barriers in Malonaldehyde, K. Luth and Steve Scheiner; Journal of Physical Chemistry

The Ionic Hydrogen Bond. 5. Polydentate and Solvent-Bridged Structures. Complexing of the Proton and the Hydronium Ion by Polyethers, Michael Meot-Ner, L. Wayne Sieck, Steve Scheiner, and Xiaofeng Duan; Journal of the American Chemical Society

Molecular Modeling of the Antiarrhythmic - Receptor Interaction, M. Remko, Steve Scheiner, and B. M. Rode; Journal of Molecular Structure

Ab Initio Studies of Hydrogen Bonds. The Water Dimer Paradigm, Steve Scheiner

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Bent Hydrogen Bonds and Proton Transfers, Steve Scheiner; Accounts of Chemical Research

Calculation of Deuterium Isotope Effects in Proton Transfer Reactions, Steve Scheiner; Journal of Molecular Structure

Relationship between Strength of Hydrogen Bond and Barrier to Proton Transfer, Steve Scheiner; Journal of Infectious Diseases

Search for Analytical Functions to Simulate Proton Transfers in Hydrogen Bonds, Steve Scheiner and X. Duan

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Theoretical study of hydrogen bonding and proton transfer in the ground and lowest excited singlet states of tropolone, M. V. Vener, Steve Scheiner, and N. D. Sokolov; Journal of Chemical Physics

Theoretical-Study On The Analytic-Functions Fitting To Proton-Transfer Potentials In Water-System, R. S. Wang, Z. M. Su, and Steve Scheiner

1993

Accounting for Saturation Effects in Pulsed Infrared Laser Excited Photothermal Spectroscopy, Stephen E. Bialkowski; Applied Optics

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Proton‐donor properties of water and ammonia in van der Waals complexes. Be–H2O and Be–NH3, G. Chalasinski, M. M. Szczesniak, and Steve Scheiner; Journal of Chemical Physics

Behavior of Interaction Energy and Intramolecular Bond Stretch in Linear and Bifurcated Hydrogen Bonds, X. Duan and Steve Scheiner; International Journal of Quantum Chemistry

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Ground and Excited State Intramolecular Proton Transfer in OCCNN Ring, X. Duan and Steve Scheiner; Chemical Physics Letters

Modeling Proton Transfer Potentials in Angularly Deformed Hydrogen Bonds, X. Duan, Steve Scheiner, and R. Wang; International Journal of Quantum Chemistry

A Comparison of Three Multi‐Platform Message‐Passing Interfaces on an Expectation Maximization Algorithm, Csaba Gyulai, Stephen E. Bialkowski, Gardner S. Styles, and Linda S. Powers; Transputer Applications and Systems '93, Proceedings of the 1993 World Transputer Congress

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Variational Transition State Theory Calculation of Proton Transfer Dynamics in (H3CH··CH3)-, A. D. Isaacson, L. Wang, and Steve Scheiner; Journal of Physical Chemistry

Comparison of Ground and Triplet State Geometries of Malonaldehyde, K. Luth and Steve Scheiner; International Journal of Quantum Chemistry

Geometric Requirements of Proton Transfers, Steve Scheiner

Applicability of the Marcus Equation to Proton Transfer in Symmetric and Unsymmetric Systems, Steve Scheiner and X. Duan; Journal of Molecular Structure: TheoChem

Hydrogen Bonding and Proton Transfers of the Amide Group, Steve Scheiner and Lan Wang; Journal of the American Chemical Society