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1991
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 X. Duan
Effect of Proton Transfer on Neighboring Hydrogen Bond Strength, Steve Scheiner and W. O. Yu
The Oxidative Alpha-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
1990
Data Analysis in the Shot Noise Limit Part III: An Adaptive Method for Data Smoothing, Stephen E. Bialkowski
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
Factors Contributing to Distortion Energies of Bent H-Bonds. 2. Imine, Carbonyl, Carboxyl and Carboxylate Groups, S. M. Cybulski and Steve Scheiner
Direct Measurement of Transition State Bond Cleavage in Hydrolysis of Phosphate Esters of p-Nitrophenol, Alvan C. Hengge and W. W. Cleland
Ab Initio Investigations of the Hydrolysis of the Carbamate Bond, M. Remko and Steve Scheiner
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
Intermolecular Potential of the Methane Dimer and Trimer, M. M. Szczesniak, G. Chalansinski, S. M. Cybulski, and Steve Scheiner
Synthesis and Chemistry of Acyltriazolinedione Ylides and Related Intermediates: New Methods for the Preparation of Di- and Tricarbonyl Compounds, R. M. Wilson and Alvan C. Hengge
Addition of 4- Phenyltriazolinedione to Carbonyl Compounds: The Formation of alpha-Urazolylcarbonyl Compounds, R. M. Wilson, Alvan C. Hengge, A. Ataei, and N. Chantarasiri
1989
Application of the BaTiO3 Beam Fanning Limiter as an Adaptive Spatial Filter for Signal Enhancement in Pulsed Laser Excited Photothermal Spectroscopy, Stephen E. Bialkowski
Data Analysis in the Shot Noise Limit Part II: Methods for Data Regression, Stephen E. Bialkowski
Data Analysis in the Shot Noise Limit Part I: Single Parameter Estimation with Poisson and Normal Probability Density Functions, Stephen E. Bialkowski
Generalized Digital Smoothing Filters Made Easy by Matrix Calculations, Stephen E. Bialkowski
Survey of Properties of Volume Holographic Materials, Stephen E. Bialkowski
Analysis of the potential energy surface of Ar–NH3, G. Chalasinski, S. M. Cybulski, M. M. Szczesniak, and Steve Scheiner
Nonadditive effects in HF and HCl trimers, G. Chalasinski, S. M. Cybulski, M. M. Szczesniak, and Steve Scheiner
Factors Contributing to Distortion Energies of Bent H-Bonds. Implications for Proton Transfer Potentials, Slawomir M. Cybulski and Steve Scheiner
Hydrogen Bonding and Proton Transfers Involving the Carboxylate Group, Slawomir M. Cybulski and Steve Scheiner
Dissection of Basis Set Superposition Error at SCF and Correlated Levels. HF Dimer., Z. Latajka and Steve Scheiner
Structure, Energetics, and Vibrational Spectrum of H3N..HOH, Z. Latajka and Steve Scheiner
The Potential Energy Surface and Equilibrium Geometry of Ar··PH3, Z. Latajka and Steve Scheiner
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
Structure and Energetics of Weakly Bound Complexes. Systems Incorporating NH3 and PH3, Steve Scheiner
1988
Optimized Spectroscopic Signal Estimates Using Integration and Matched Filters, Stephen E. Bialkowski
Pulsed Laser Photothermal Spectroscopy, Stephen E. Bialkowski
Real Time Digital Filters: Finite Impulse‐Response Filters, Stephen E. Bialkowski
Real Time Digital Filters: Infinite Impulse‐Response Filters, Stephen E. Bialkowski
Theoretical Accounting for the Acoustic Energy Produced by Pulsed Laser Excitation of Optically Thin Samples, Stephen E. Bialkowski
Optical Processing of Time Varying Pulsed Laser Excited Photothermal Spectroscopy Signals with Matched Filter Smoothing, Stephen E. Bialkowski and Salvador Herrera
Ultrasensitive Photothermal Deflection Spectrometry Using an Analyzer Etalon, Stephen E. Bialkowski and Zhi-Fang He
Theoretical vibrational study of the FX⋅⋅⋅O(CH3)2 hydrogen‐bonded complex, Y. Bouteiller, C. Mijoule, M. M. Szczesniak, and Steve Scheiner
Structure, Energetics, and Vibrational Spectra of H-Bonded Systems. Dimers and Trimers of HF and HCl, Z. 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
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
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
Ab Initio Investigation of Interactions between Local Anesthetics and Receptor. Complexes Involving Amine, Phosphate, Amide, Na+, K+, Ca2+ and Cl-, M. Remko and Steve Scheiner
The Geometry and Internal Rotational Barrier of Carbamic Acid and Several Derivatives, M. Remko and Steve Scheiner
Relationship between the Angular Characteristics of a H-bond and the Energetics of Proton Transfer Occurring Within, Steve Scheiner
Effects of External Ions upon Proton Transfer Reactions. H-Bonded Systems Containing HCOOH, Steve Scheiner and T. Das
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
Accurate Evaluation of SCF and MP2 Components of Interaction Energies. Complexes of HF, OH2 and NH3 with Li+, M. M. Szczesniak and Steve Scheiner
Effects of Electron Correlation upon Molecular Interactions. Correction of the Electrostatic Interaction between DNA Bases, M. M. Szczesniak, Steve Scheiner, and P. Hobza
1987
Optimal Estimation of Impulse‐Response Signals Through Digital Innovations and Matched Filter Smoothing, Stephen E. Bialkowski
Simple Scheme for Variable High Power Laser Beam Attenuation, Stephen E. Bialkowski
Quantitative Discrimination of Gas Phase Species Based On Single‐Wavelength Non‐Linear Intensity Dependent Pulsed Infrared Laser Excited Photothermal Deflection Signals, Stephen E. Bialkowski and George R. Long
Hydrogen bonding and proton transfers involving triply bonded atoms. Acetylene and hydrocyanic acid, Slawomir Cybulski and Steve Scheiner
Ab Initio Investigation of the Structure of Hydrogen Halide - Amine Complexes in the Gas Phase and in a Polarizable Medium, I. J. Kurnig and Steve Scheiner
Vibrational Frequencies and Intensities of H-Bonded Systems. 1:1 and 1:2 Complexes of NH3 and PH3 with HFVibrational frequencies and intensities of H‐bonded systems. 1:1 and 1:2 complexes of NH3 and PH3 with HF, I. J. Kurnig, M. M. Szczesniak, and Steve Scheiner
Basis Sets for Molecular Interactions. 1. Construction and Tests on (HF)2 and (H2O)2, Z. Latajka and Steve Scheiner
Basis Sets for Molecular Interactions. 2. Application to H3N-HF, H3N-HOH, H2O-HF, (NH3)2, and H3CH-OH2, Z. Latajka and Steve Scheiner
Primary and secondary basis set superposition error at the SCF and MP2 levels. H3N‐‐Li+ and H2O‐‐Li+, Z. Latajka and Steve Scheiner
Structure, energetics, and vibrational spectrum of H2O–HCl, Z. Latajka and Steve Scheiner
Kinetics of Proton Transfer in (H3CH··CH3)-, Steve Scheiner and Zdzislaw Latajka
Nucleophilic Additions to Triazolinedione Ylides, Extremely Reactive Carbonyl Equivalents: A New Class of Condensation Reactions, R. M. Wilson and Alvan C. Hengge
1986
A Scheme for Species Discrimination and Quantitative Estimation Using Incoherent Linear Optical Signal Processing, Stephen E. Bialkowski
Binary Code Decimal to Binary Program Modification of a Popular Digital Delay Module, Stephen E. Bialkowski
Pulsed Infrared Laser Photothermal Spectroscopy in Gas Phase Chemical Analysis, Stephen E. Bialkowski
Pulsed‐Laser Photothermal Spectroscopy, Stephen E. Bialkowski
Pulsed Laser Thermal Lens Spectrophotometry of Liquid Samples Using an Optical Fiber Beam Guide with Interference Orthogonal Signal Processing, Stephen E. Bialkowski
The Basis Set Dependence of Structures and Energies of Various States of Cyclodisiloxane, R. Brenstein and Steve Scheiner
Analysis of the Principles Governing Proton-Transfer Reactions. Carboxyl Group, Eric A. Hillenbrand and Steve Scheiner
Ab Initio Study of Structure and Cooperativity in H3N-HF-HF and H3P-HF-HF, Ingrid J. Kurnig, M. M. Szczesniak, and Steve Scheiner
Energetics of proton transfer between carbon atoms (H3CH [BOND] CH3)−, Z. Latajka and Steve Scheiner
The Potential Energy Surface of (NH3)2, Z. Latajka and Steve Scheiner
Error Reduction in Pulsed Infrared Laser Photothermal Deflection Spectrometry, George R. Long and Stephen E. Bialkowski
A Least Squares Digital Filter for Repetitive Data Acquisition, Scott L. Nickolaisen and Stephen E. Bialkowski
Pulsed Laser Thermal Lens Spectrometry for Flowing Liquid Detection, Scott L. Nickolaisen and Stephen E. Bialkowski
Species Selective Detection in Gas Chromatography Through Photothermal Deflection Spectroscopy, Scott L. Nickolaisen and Stephen E. Bialkowski
Participation of the Carboxyl Group in Proton Transfers, Steve Scheiner
Theoretical Calculation of Energetics of Proton Translocation through Membranes, Steve Scheiner
Quantum Mechanical Test of Marcus Theory. Effects of Alkylation upon Proton Transfer, Steve Scheiner and Paul Redfern
Factors Influencing Proton Positions in Biomolecules, Steve Scheiner, P. Redfern, and E. A. Hillenbrand
Contribution of Dispersion to the Properties of H-Bonded Systems. Complexes of HF and HCl with NH3, PH3, H2O, and H2S, Steve Scheiner, M. M. Szczesniak, and Z. Latajka
The contribution of dispersion to H-bonds between hydrides of first and second-row atoms, M. M. Szczȩśniak, Zdzisław Latajka, and Steve Scheiner
Correction of the basis set superposition error in SCF and MP2 interaction energies. The water dimer, M. M. Szczesniak and Steve Scheiner
1985
Photothermal Lens Aberration Effects in Two Laser Thermal Lens Spectrometry, Stephen E. Bialkowski
Pulsed Infrared‐Laser Photothermal Spectrometry In Gas‐Phase Chemical‐Analysis, Stephen E. Bialkowski, George R. Long, and Scott L. Nickolaisen
Comparison of proton transfers in (S2H5)+ and (O2H5)+, L. Bigham and Steve Scheiner
Analysis of the Principles Governing Proton Transfer Reactions. Comparison of the Imine and Amine Groups, Eric A. Hillenbrand and Steve Scheiner
Influence of basis set on the calculated properties of (H3N–HCl), Z. Latajka and Steve Scheiner
Role of Polarization Functions in Cation Binding. H3N-Li+ and H2O-Li+, Z. Latajka and Steve Scheiner
Saturation Effects of Gas Phase Photothermal Deflection Spectrometry, George R. Long and Stephen E. Bialkowski
Pulsed Infrared Laser Thermal Lens Spectrometry of Flowing Gas Samples, Scott L. Nickolaisen and Stephen E. Bialkowski
Pulsed Infrared Laser Thermal Lens Spectrophotometry of Flowing Gas Samples, Scott L. Nickolaisen and Stephen E. Bialkowski
Effects of Alkylation upon the Proton Affinities of Nitrogen and Oxygen Bases, P. Redfern and Steve Scheiner
Control of Protonation States of Groups in Proteins by Adjustment of H-Bond Geometry, Steve Scheiner
Quantum Chemical Approach to Study the Mechanisms of Proton Translocation across Membranes through Protein Molecules, Steve Scheiner
Quantum Mechanical Studies of Proton Translocation in Biological Systems, Steve Scheiner
Theoretical Studies of Proton Transfers, Steve Scheiner
Analysis of Proton Translocation through Hydrogen-Bonded Chains using Molecular Orbital Methods, Steve Scheiner and E. Hillenbrand
Comparison between Proton Transfers involving Carbonyl and Hydroxyl Oxygens, Steve Scheiner and Eric A. Hillenbrand
Effects of External Ions on the Energetics of Proton Transfers across Hydrogen Bonds, Steve Scheiner, Paul Redfern, and M. M. Szczesniak
Interactions between Benzene and DNA Bases. A Model of Intercalation, Steve Scheiner and M. M. Szczesniak
Contribution of dispersion to the properties of H2S‐‐HF and H2S‐‐HCl, M. M. Szczesniak and Steve Scheiner
