Molecular chemistry.
Overview
| Works: | 137 works in 0 publications in 0 languages | |
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Titles
Microstructural Effects on Charge Transfer in Small Molecule Heterojunctions: A Tale of Tails.
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The Synthesis and Reactivity of New m-Terphenyl Substituted Aluminum Hydrides and Aluminum Iodides.
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Synthesis, characterization and redox behaviour of 1,2,4-dithiazolium salts and their radicals.
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CO2-selective polymer brush membranes and antibacterial polyelectrolyte multilayer membranes: Synthesis, characterization, and application.
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Novel compatibilized immiscible polymer blend based membranes for gas separations.
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Direct simulation of proton-coupled electron transfer reaction dynamics and mechanisms.
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Examining proton transport in perfluorosulfonic acid membranes using reactive molecular dynamics.
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Studies in novel transition-metal-catalyzed oxidative coupling reactions.
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Organic molecular cages as templates for the synthesis of metallic nanoparticles: From stabilization to application and assembly.
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Infrared spectroscopy, UV photochemistry, and H-atom tunneling reactions of molecules trapped in parahydrogen crystals.
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N-Heterocyclic and Mesoionic Carbene Complexes of Rhodium and Palladium: Coordination Chemistry and Catalysis.
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Highly selective rhodium-catalyzed C-H borylations in preparation of substrates for Suzuki-Miyaura cross-couplings: Mono- and chemoselective formation of aromatic compounds.
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Mechanistic Studies in Heterogeneous Catalysis via in situ FT-IR Spectroscopy.
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Computational Optimization and Characterization of Molecularly Imprinted Polymers.
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Structure-Based Design and Development of Small Molecule Modulators of the CBX7 Chromodomain.
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From Virtual High-throughput Screening and Machine Learning to the Discovery and Rational Design of Polymers for Optical Applications.
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Extension of Similarity Functions and Their Application to Chemical Informatics Problems.
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Accessing High Oxidation State Metal Complexes with Pyridine Alkoxide Ligands.
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Design, Development and Application of Analytical Apparatuses for Laser Electrospray Mass Spectrometry Analysis.
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Frontiers in the Atomistic Modeling of Molecular Junctions: Bringing Theory Closer to Experiment.
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Fundamental Chemistry Involving Carbon-Donor-Stabilized Phosphorus(I) and Arsenic(I) Salts.
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Temperature and Polarizability Effects on Electron Transfer in Biology and Artificial Photosynthesis.
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Vibrational Spectroscopy on the Silicon Hydride Mode: Probing Ultrafast Dynamics in Small Molecules to Macromolecular Polymer Systems.
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Designing Transition Metal Complexes as Quantum Bit Candidates for Applications in Quantum Information Science.
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Rational Design and Structure-Property Relationships of Diazaperopyrenium Dications and Metal-Organic Frameworks.
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Topics in Supramolecular Chemistry: Nanococrystals, Chiral Cocrystals, and Acoustic Mixing.
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Investigation of Defect-Assisted Material Transport in Magnesium Oxide by Molecular Simulations.
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Establishing a Molecular Basis for Rare Earth Separations: Progress Towards Rare Earth Recycling Through Coordination and Redox Chemistry.
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Metal-Catalyzed Enantioselective Dicarbofunctionalization of Alkenylboron Compounds.
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Current-Constrained Reduced-Density-Matrix Theory for Molecular Conductivity.
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Excited States of Molecules with Density Functional Theory and Many Body Perturbation Theory.
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The Relationship Between Structure and Interaction in Noble Metal Phosphine Complexes.
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First Principles Modeling of the Electrochemical Oxygen Evolution Reaction: From Electronic Structure to Kinetics.
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Investigation of Structure and Li Dynamics in New Li Ion Conductors Using Solid State NMR Spectroscopy.
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Mechanistic Studies of Iron, Manganese, and Cobalt Cluster Anions Functioning as Electrocatalysts for Solar Fuel Synthesis.
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Beyond Enhancer-Promoter Contact: Leveraging Deep Learning to Connect Super-Resolution DNA Traces to Transcription.
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The Development and Applications of Nuclear Magnetic Resonance Spectroscopy in Surface Interaction of Nanoparticles.
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Photophysical Studies to Advance Fluorescence Applications in Biophysics.
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Selective Hydrodeoxygenation of Biomass-Derived Model Compounds over Bifunctional Catalysts.
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Mechanism Behind Grain Boundary Segregation and Mechanical Properties Enhancement of CoCrFeMnNi High Entropy Alloy Through Molecular Dynamics Simulation.
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Design, Synthesis, and Characterization of Conductive Frameworks for Chemiresistive Gas Sensing.
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Studies on Solution and Solid-State Photoswitching and Fluorescence Properties of Bistable Photochromic Hydrazones.
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A Molecular Engineering Approach: Multi-Functional Binders Design for Lithium-Sulfur Battery.
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Computational Molecular Design for Developing Metal-Free Organic Emissive Materials.
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Molecular Modeling of High-Performance Thermoset Polymer Matrix Composites for Aerospace Applications.
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Impact of pH on the Removal of Cyanotoxins by Pac and Chlorine in Presence and Absence of Cyanobacterial Cells.
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Impacts of Oil and Natural Gas Development and Other Sources on Volatile Organic Compound Concentrations in Broomfield, Colorado.
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Computational Methods Applied to the Study of the Structure, Spectra, and Reactivity of Small Organic Molecules.
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Bottom-Up Synthesis of Colloidal Systems Using Sequence Defined Molecules.
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First-Principles Study of the Electric Field Effect on the Water-Adsorbed Rutile Titanium Dioxide Surface.
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Potential transformation of catecholamines to melanins in the presence of polysaccharides.
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Elucidating the Structures of Amyloid Oligomers with Chemical Model Systems.
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A multi-mode atmospheric ambient ionization source and its use for ion fragmentation investigations by mass spectrometry.
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Synthesis and Characterization of Salicylideneaniline Functionalized Molecular Rotors.
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Synthesis, structures, and reactivity of biologically relevant sulfur-containing copper(i) complexes.
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Studies of Amino-Specific Chemical Tags. Prospects for 19F and 13C Protein NMR and Materials Chemistry.
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Vibrational Energy Distribution, Electron Density and Electron Temperature Behavior in Nanosecond Pulse Discharge Plasmas by Raman and Thomson Scattering.
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Synthesis and processing strategies to tune the film structure and optoelectronic properties of non-planar molecular semiconductors.
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Molecular modeling and simulation study of the structure and dynamics of confined ionic liquids and their performance in gas separations.
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Structure-function relationships and biological applications of conjugated oligoelectrolytes.
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Photocyclodehydrofluorination (PCDHF) - A synthetic method for fluorinated polynuclear aromatic hydrocarbons.
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Temperature- and pressure-induced protein dynamics from microseconds to minutes.
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Electrostatic Contributions to the Thermodynamics of Ribonuclease P Protein Folding.
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Bioengineered metal nanoparticles: shape control, structure, and catalytic functionality.
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Self-Assembled Monolayers at the Solid-Liquid Interface: Design, Post-Modification and Effects of Molecular Variations as Compared to Homogenous Systems.
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Development of a reaxff reactive force field for silicon/oxygen/hydrogen/fluoride interactions and applications to hydroxylation and friction.
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Diet, bacteria and inflammation: The intestinal mucosa and metabolic syndrome.
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On the Conformational Dynamics of DNA: A Perspective from Molecular Dynamics Simulations.
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The Synthesis and Photophysical Characterization of Porphyrin Photoactive Materials for Use as Sensitizers in Organic Photovoltaics and Photodynamic Therapy.
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Site-discrimination by molecular imposters at dissymmetric molecular crystal surfaces.
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Microwave Spectra and Molecular Structures of Organic Molecules and Hydrogen Bonded Dimers.
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Development of Biocatalytic Strategies for the Directed Oxidation of Small Molecule and Macrocyclic Substrates.
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How a Systematic Approach to Uncertainty Quantification Renders Molecular Simulation a Quantitative Tool in Predicting the Critical Constants for Large n-Alkanes.
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Development of Synthetic Methods via Photoredox Catalysis and Photon Upconversion.
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First-Principles Study on the Structural and Thermal Properties of Molecular Crystals and Liquids.
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Influences of Amino Acids and Peptide Mutations on Material Morphology and Catalysis.
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Using Dynamic Covalent Chemistry in Crosslinked Glassy Polymers to Achieve Stress Relaxation and Improve Material Performance.
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Magnesium as a regulator of hepatic NADPH in the hepatocyte: Prospective roles of magnesium in diabetes and obesity onset.
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Effects of Small Molecules on Nucleic Acid Stability and Improvements to RNA Structure Prediction.
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Synthesis of Acetylenic Carbon Molecules via Pulsed Laser Ablation in Ethanol.
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Main Group-Catalyzed Carbon to Carbon Bond-Forming Reactions of Dicoordinate Carbocations.
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Expanding the Electrophile and Nucleophile Scope in Palladium/Lewis Base Cooperative Catalysis.
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Design of Durable and Efficient Catalysts for the Electro-Oxidation of Methanol.
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Investigation of the Effects of Hyperbaric Oxygen (HBO2) on Opioid Withdrawal Using Both Behavioral and Molecular Techniques.
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Supramolecular Interactions as a Basis for Differential Sensing Applications.
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Electron Microscopy Characterization of GaN-on-GaN Vertical Power Devices = = Electron Microscopy Characterization of GaN-on-GaN Vertical Power Devices .
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Temporal and Spatial Nanobiomaterials for Tissue Engineering and Drug Delivery.
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The Molecular and Regulatory Mechanism of Multi-Subunit N-Terminal Acetyltransferases.
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Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study.
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Engineering Modular Synthetic Microbial Consortia for Sustainable Bioproduction from CO2.
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Synthesis of Imidazolidinones and Indolines Via Aza-Heck Cyclizations & Phosphonate-Directed C-H Borylation.
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Teasing Apart Excited-State Intramolecular Proton Transfer (Esipt) Fluorescence: An Evaluation of Solvent, Substituent, and Aromaticity Effects.
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Experimental Evidence for a C-Peptide Complex Receptor on Red Blood Cells.
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Interfacial Thermodynamics and Electrochemistry of Protein Partitioning in Two-Phase Systems.
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Porous Nitrogen-Doped Electrocatalyst for the Oxygen Reduction Reaction in Alkaline Media.
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Molecular Orientation and Structure of Hydrogen Bonds at Water Interfaces.
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Using Molecular Simulations as an Integral Tool for Modeling Ionic Liquid Crystals and Colloidal Clusters.
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Machine Learning-Accelerated Computing of Molecular and Catalytic Properties of Metallic Alloys.
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Palladium Biladiene Complexes Bearing Aryl Groups Through Organometallic Cross-Couplings for Sensitization of Singlet Oxygen for Photodynamic Cancer Therapy.
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A Comparison of the Oxidative Addition Chemistry of Tetrathiocins to p- and d- Block Elements.
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Evaluation and Development of Weakly Coordinating Cations and Their Application to Charge-Enhanced Base Organocatalysis.
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Pediatric Cerebral Arachnoid Cysts are Genetically-Encoded Harbingers of Neurodevelopmental Pathology.
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Understanding Chromatin Compaction Transitions and Transcriptional Dynamics During Stem Cell Differentiation in Vivo.
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The Essential Protein Sts1 Facilitates 26s Proteasome Nuclear Import by a Unidirectional Mechanism in Saccharomyces cerevisiae.
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Enantioselective Synthesis of Stereogenic-At-Phosphorus(V) Compounds via Hydrogen-Bond-Donor Catalysis.
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First Principles Studies of Aqueous Systems at Ambient and Extreme Conditions.
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Quantum Dynamics of Molecular Spontaneous Emission Process in a Complex Dielectric Environment.
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Metal Directed Supramolecular Assemblies for Optical Materials: Chemosensor Design and Application.
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