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1993
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
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
Analysis of 1st‐Order Rate Constant Spectra With Regularized Least‐Squares and ExpectationMaximization: 1. Theory and Numerical Characterization, Brett T. Stanley, Stephen E. Bialkowski, and David B. Marshall; Analytical Chemistry
1992
Pulsed‐Laser Excited Differential Photothermal Deflection Spectrometry, Stephen E. Bialkowski, Xu Gu, Pete E. Poston, and Linda S. Powers; Applied Spectroscopy
Transition Saturation in Ethylene Observed with Infrared Photothermal Spectrometry, Stephen E. Bialkowski and Zhi-Fang He; SPIE Proceedings: Environmental and Process Monitoring Technologies
Proton–donor properties of water and ammonia in van der Waals complexes with rare‐gas atoms. Kr–H2O and Kr–NH3, G. Chalasinski, M. M. Szczesniak, and Steve Scheiner; Journal of Chemical Physics
Energetics, Proton Transfer Rates, and Kinetic Isotope Effects in Bent Hydrogen Bonds, Xiaofeng Duan and Steve Scheiner; Journal of the American Chemical Society
Analytic Functions Fit to Proton Transfer Potentials, X. Duan and Steve Scheiner; Journal of Molecular Structure
Fundamental Aspects of Lithium Ion Transfer, X. Duan and Steve Scheiner; Journal of Physical Chemistry
Modeling of Coupled Proton Transfers by Analytic Functions, X. Duan and Steve Scheiner; International Journal of Quantum Chemistry
Can Acyl Transfer Occur by a Concerted Mechanism? Direct Evidence from Heavy-Atom Isotope Effects, Alvan C. Hengge; Journal of the American Chemical Society
Comparison of BaTiO3 Optical Novelty Configuration and Photothermal Lensing Configuration inPhotothermal Experiments, Shashi D. Kalaskar and Stephen E. Bialkowski; Analytical Chemistry
Basis Set Superposition Error in Proton Transfer Potentials, Zdzisław Latajka, Steve Scheiner, and G. Chalasinki; Chemical Physics Letters
Proton Transfer in the Ground and First Excited Triplet States of Malonaldehyde, Z. Latajka and Steve Scheiner; Journal of Physical Chemistry
The Proton Position in Amine-HX (X=Br, I) Complexes, Z. Latajka, Steve Scheiner, and H. Ratajczak; Chemical Physics
Calculation of Barriers to Proton Transfer Using a Variety of Electron Correlation Methods, Karl Luth and Steve Scheiner
Calculation of barriers to proton transfer using multiconfiguration self‐consistent‐field methods. I. Effects of localization, K. Luth and Steve Scheiner; Journal of Chemical Physics
Calculation of barriers to proton transfer using variations of multiconfiguration self‐consistent‐field methods. II. Configuration interaction, K. Luth and Steve Scheiner; Journal of Chemical Physics
Diffractive Properties of Gelatin as an Aerogel, Richard D. Rallison and Stephen E. Bialkowski; Diffractive Optics: Design, Fabrication, and Applications Techinical Digest
Ab Initio Investigations of Interactions between Models of Local Anesthetics and Polar Groups of Membranes, M. Remko, Steve Scheiner, and P. T. Van Duijnen
Extraction of the Principles of Proton Transfers by Ab Initio Methods, Steve Scheiner
On the Underlying Source of Energetics of Bending of Hydrogen Bonds, Steve Scheiner; Journal of Molecular Structure: TheoChem
Effect of Bond Multiplicity upon Hydrogen Bonding and Proton Transfers. Double Bonded Atoms, Steve Scheiner and Lan Wang; Journal of the American Chemical Society
1991
Expectation‐Maximization Algorithm for Regression, Deconvolution, and Smoothing of Shot‐Noise‐Limit Data, Stephen E. Bialkowski; Journal of Chemometrics
Using Optical Novelty Filters in Analytical Spectroscopy, Stephen E. Bialkowski; Proceeding of the Society for Optical and Quantum Electronics
Theoretical vibrational study of FX...NH3 (X=H, D, Li) complexes, Y. Bouteiller, Z. Latajka, H. Ratajczak, and Steve Scheiner; Journal of Chemical Physics
Ab initio study of intermolecular potential of H2O trimer, G. Chalasinski, M. M. Szczesniak, P. Cieplak, and Steve Scheiner; Journal of Chemical Physics
Ab initio study of the intermolecular potential of Ar–H2O, G. Chalasinski, M. M. Szczesniak, and Steve Scheiner; Journal of Chemical Physics
Oxygen-18 Exchange in Nitrophenols: Significance for Labeling and IsotopeEffect Experiments, Alvan C. Hengge; Journal of the American Chemical Society
Mechanism of Phosphodiester Cleavage with ��–Cyclodextrin, Alvan C. Hengge and W. W. Cleland; Journal of Organic Chemistry
Phosphoryl Transfer Reactions of Phosphodiesters:Characterization of Transition States by Heavy Atom Isotope Effects, Alvan C. Hengge and W. W. Cleland; Journal of the American Chemical Society
AM1 and Ab Initio Studies of Aminomethylphosphonic Acid, Z. Latajka, H. Ratajczak, Steve Scheiner, and J. Barycki; Journal of Molecular Structure: TheoChem
Ab Initio Studies of Hydrogen-Bonded Complexes between Uracil and HCl, Z. Latajka, H. Ratajczak, Th. Zeegers-Huyskens, and Steve Scheiner; Journal of Molecular Structure: TheoChem
Correlated Proton Transfer Potentials. (HO-H-OH)- and (H2O-H-OH2)+, Z. Latajka and Steve Scheiner; Journal of Molecular Structure: TheoChem
Isotropy in Ionic Interactions. 2. How Spherical is the Ammonium Ion? Comparison of the Gas-Phase Clustering Energies and Condensed-Phase Thermochemistry of K+ and NH4+, J. F. Liebman, M. J. Romm, M. Meot-Ner, S. M. Cybulski, and Steve Scheiner; Journal of Physical Chemistry
Isotropy of Ion Interactions: NH4+ vs K+, J. F. Liebman, M. J. Romm, M. Meot-Ner, S. M. Cybulski, and Steve Scheiner
Deprotonation Energies of Ground and Excited states of HCN, V. Marudarajan and Steve Scheiner; Chemical Physics Letters
Deprotonation Energy and Charge Redistribution in Excited States of Acetylene, V. Marundarajan and Steve Scheiner; Journal of Physical Chemistry
Ab Initio Investigation of Interactions between Models of Membrane-Active Compounds and Polar Groups of Membranes: Complexes involving Amine, Ether, Amide, Phosphate, and Carboxylate, M. Remko and Steve Scheiner; Journal of Pharmaceutical Sciences
Ab Initio Studies of Hydrogen Bonding, Steve Scheiner
Calculating the Properties of Hydrogen Bonds by Ab Initio Methods, Steve Scheiner
Effect of Intermolecular Orientation upon Proton Transfer within a Polarizable Medium, Steve Scheiner and Xiaofeng Duan
Effect of Proton Transfer on Neighboring Hydrogen Bond Strength, Steve Scheiner and W. O. Yu; International Journal of Quantum Chemistry
The Oxidative �� Coupling of Carbonyl Compounds Via the Condensation of Acylated Triazolinedione (PTAD) Ylides With Enolates: A Facile Synthesis of Polyacylated Olefins, R. M. Wilson, Alvan C. Hengge, A. Ataei, and D. M. Ho; Journal of the American Chemical Society
1990
Data Analysis in the Shot Noise Limit Part III: An Adaptive Method for Data Smoothing, Stephen E. Bialkowski; Journal of Chemometrics
Exchange of Comments on Data Analysis in the Shot Noise Limit Part I: Single Parameter Estimation with Poisson and Normal Probability Density Functions, Stephen E. Bialkowski; Analytical Chemistry
Comparison of Morokuma and Perturbation Theory Approaches to Decomposition of Molecular Interaction Energy. (NH4)+...NH3, Sławomir M. Cybulski and Steve Scheiner; Chemical Physics Letters
Factors Contributing to Distortion Energies of Bent H-Bonds. 2. Imine, Carbonyl, Carboxyl and Carboxylate Groups, S. M. Cybulski and Steve Scheiner; Journal of Physical Chemistry
Direct Measurement of Transition State Bond Cleavage inHydrolysis of Phosphate Esters of p-Nitrophenol, Alvan C. Hengge and W. W. Cleland; Journal of the American Chemical Society
Correlation between Interaction Energy and Shift of the Carbonyl Stretching Frequency, Zdzisław Latajka and Steve Scheiner; Chemical Physics Letters
Ab Initio Investigations of the Hydrolysis of the Carbamate Bond, M. Remko and Steve Scheiner; Journal of Molecular Structure: TheoChem
Principles of Proton Transfer Reactions, Steve Scheiner
Potential Energy Surface for Dispersion Interaction in (H2O)2 and (HF)2, M. M. Szczesniak, R. J. Brenstein, S. M. Cybulski, and Steve Scheiner; Journal of Physical Chemistry
Intermolecular Potential of the Methane Dimer and Trimer, M. M. Szczesniak, G. Chalansinski, S. M. Cybulski, and Steve Scheiner; Journal of Chemical Physics
Addition of 4- Phenyltriazolinedione toCarbonyl Compounds: The Formation of alpha-Urazolylcarbonyl Compounds, R. Marshall Wilson, Alvan C. Hengge, Ali Ataei, and Nuanphun Chantarasiri; Journal of Organic Chemistry
Synthesis and Chemistry of Acyltriazolinedione Ylides and RelatedIntermediates: New Methods for the Preparation of Di- and Tricarbonyl Compounds, R. M. Wilson and Alvan C. Hengge; Journal of Organic Chemistry
1989
Application of the BaTiO3 Beam Fanning Limiter as an Adaptive Spatial Filter for Signal Enhancementin Pulsed Laser Excited Photothermal Spectroscopy, Stephen E. Bialkowski; Optics Letters
Data Analysis in the Shot Noise Limit Part II: Methods for Data Regression, Stephen E. Bialkowski; Analytical Chemistry
Data Analysis in the Shot Noise Limit Part I: Single Parameter Estimation with Poisson and NormalProbability Density Functions, Stephen E. Bialkowski; Analytical Chemistry
Generalized Digital Smoothing Filters Made Easy by Matrix Calculations, Stephen E. Bialkowski; Analytical Chemistry
Survey of Properties of Volume Holographic Materials, Stephen E. Bialkowski; Practical Holography III SPIE Proceedings
Survey of Properties of Volume Holographic Materials, Stephen E. Bialkowski; Practical Holography III SPIE Proceedings
Analysis of the potential energy surface of Ar–NH3, G. Chalasinski, S. M. Cybulski, M. M. Szczesniak, and Steve Scheiner; Journal of Chemical Physics
Nonadditive effects in HF and HCl trimers, G. Chalasinski, S. M. Cybulski, M. M. Szczesniak, and Steve Scheiner; Journal of Chemical Physics
Factors Contributing to Distortion Energies of Bent H-Bonds. Implications for Proton Transfer Potentials, Slawomir M. Cybulski and Steve Scheiner; The Journal of Physical Chemistry
Hydrogen Bonding and Proton Transfers Involving the Carboxylate Group, Slawomir M. Cybulski and Steve Scheiner; Journal of the American Chemical Society
Dissection of Basis Set Superposition Error at SCF and Correlated Levels. HF Dimer., Z. Latajka and Steve Scheiner; Journal of Molecular Structure: TheoChem
Structure, Energetics, and Vibrational Spectrum of H3N..HOH, Z. Latajka and Steve Scheiner; Journal of Physical Chemistry
The Potential Energy Surface and Equilibrium Geometry of Ar··PH3, Z. Latajka and Steve Scheiner; Journal of Molecular Structure
Ab Initio Studies of Small H-Bonded Clusters, Steve Scheiner
Ab Initio Studies of the Structure, Energetics, and Vibrational Spectra of Hydrogen-Bonded Systems, Steve Scheiner; Journal of Molecular Structure: TheoChem
Structure and Energetics of Weakly Bound Complexes. Systems Incorporating NH3 and PH3, Steve Scheiner; Journal of Molecular Structure
Perturbations of Proton Transfer Potentials Caused by Polar Molecules, Steve Scheiner, R. Wang, and L. Wang; international Journal of Quantum Chemistry
1988
Optimized Spectroscopic Signal Estimates Using Integration and Matched Filters, Stephen E. Bialkowski; Applied Spectroscopy
Pulsed Laser Photothermal Spectroscopy, Stephen E. Bialkowski; Advances in laser Science, AIP Proceedings
Real Time Digital Filters: Finite Impulse‐Response Filters, Stephen E. Bialkowski; Analytical Chemistry
Real Time Digital Filters: Infinite Impulse‐Response Filters, Stephen E. Bialkowski; Analytical Chemistry
Theoretical Accounting for the Acoustic Energy Produced by Pulsed Laser Excitation of Optically ThinSamples, Stephen E. Bialkowski; Chemical Physics Letters
Optical Processing of Time Varying Pulsed Laser Excited Photothermal Spectroscopy Signals with Matched Filter Smoothing, Stephen E. Bialkowski and Salvador Herrera; Analytical Chemistry
Ultrasensitive Photothermal Deflection Spectrometry Using an Analyzer Etalon, Stephen E. Bialkowski and Zhi-Fang He; Analytical Chemistry
Theoretical vibrational study of the FX⋅⋅⋅O(CH3)2 hydrogen‐bonded complex, Y. Bouteiller, C. Mijoule, M. M. Szczesniak, and Steve Scheiner; Journal of Chemical Physics
Structure, Energetics, and Vibrational Spectra of H-Bonded Systems. Dimers and Trimers of HF and HCl, Zdzisław Latajka and Steve Scheiner
Is CN- Significantly Anisotropic? Comparison of CN- vs. Cl-: Clustering with HCN and Condensed Phase Thermochemistry, Michael Meot-Ner, S. M. Cybulski, Steve Scheiner, and Joel F. Liebman; The Journal of Physical Chemistry
Ab Initio Investigation of Interactions between Local Anesthetics and Receptor. Complexes Involving Amine, Phosphate, Amide, Na+, K+, Ca2+ and Cl-, Milan Remko and Steve Scheiner
Ab initio investigation of interactions between models of local anesthetics and receptor: Complexes involving amine, phosphate, amide, Na+, K+, Ca2+, and Cl–, Milan Remko and Steve Scheiner; Journal of Pharmaceutical Sciences
Ab Initio Investigation of Hydrogen Bonding by Carbamates. Complexes including N-methyl methylcarbamate, N-phenyl methylcarbamate, dimethyl ether, and methyl acetate, M. Remko and Steve Scheiner; Journal of Molecular Structure: TheoChem
The Geometry and Internal Rotational Barrier of Carbamic Acid and Several Derivatives, M. Remko and Steve Scheiner; Journal of Molecular Structure: TheoChem
Relationship between the Angular Characteristics of a H-bond and the Energetics of Proton Transfer Occurring Within, Steve Scheiner; Journal of Molecular Structure
Effects of External Ions upon Proton Transfer Reactions. H-Bonded Systems Containing HCOOH, Steve Scheiner and T. Das; International Journal of Quantum Chemistry
Accurate Evaluation of SCF and MP2 Components of Interaction Energies. Complexes of HF, OH2 and NH3 with Li+, Małgorzata M. Szczęśniak and Steve Scheiner
Vibrational frequencies and intensities of H‐bonded and Li‐bonded complexes. H3N⋅⋅HCl and H3N⋅⋅LiCl, M. M. Szczesniak, I. J. Kurnig, and Steve Scheiner; Journal of Chemical Physics
Effects of Electron Correlation upon Molecular Interactions. Correction of the Electrostatic Interaction between DNA Bases, M. M. Szczesniak, Steve Scheiner, and P. Hobza; Journal of Molecular Structure: TheoChem
1987
Optimal Estimation of Impulse‐Response Signals Through Digital Innovations and Matched FilterSmoothing, Stephen E. Bialkowski; Review of Scientific Instruments
Simple Scheme for Variable High Power Laser Beam Attenuation, Stephen E. Bialkowski; Review of Scientific Instruments
Quantitative Discrimination of Gas Phase Species Based On Single‐Wavelength Non‐Linear IntensityDependent Pulsed Infrared Laser Excited Photothermal Deflection Signals, Stephen E. Bialkowski and George R. Long; Analytical Chemistry
