Molecular chemistry.

First-Principles Study on the Structural and Thermal Properties of Molecular Crystals and Liquids. by: (書目-電子資源)

Effects of Small Molecules on Nucleic Acid Stability and Improvements to RNA Structure Prediction. by: (書目-電子資源)

Investigation of Defect-Assisted Material Transport in Magnesium Oxide by Molecular Simulations. by: (書目-電子資源)

Establishing a Molecular Basis for Rare Earth Separations: Progress Towards Rare Earth Recycling Through Coordination and Redox Chemistry. by: (書目-電子資源)

Metal-Catalyzed Enantioselective Dicarbofunctionalization of Alkenylboron Compounds. by: (書目-電子資源)

Current-Constrained Reduced-Density-Matrix Theory for Molecular Conductivity. by: (書目-電子資源)

Excited States of Molecules with Density Functional Theory and Many Body Perturbation Theory. by: (書目-電子資源)

The Relationship Between Structure and Interaction in Noble Metal Phosphine Complexes. by: (書目-電子資源)

Dual Catalysis and the Synthesis of Medium-Sized Rings. by: (書目-電子資源)

First Principles Modeling of the Electrochemical Oxygen Evolution Reaction: From Electronic Structure to Kinetics. by: (書目-電子資源)

Beyond Enhancer-Promoter Contact: Leveraging Deep Learning to Connect Super-Resolution DNA Traces to Transcription. by: (書目-電子資源)

Selective Hydrodeoxygenation of Biomass-Derived Model Compounds over Bifunctional Catalysts. by: (書目-電子資源)

Investigation of the Polyvinyl Alcohol/Graphene Interface: A Molecular Dynamics Simulation Study. by: (書目-電子資源)

Experimental Evidence for a C-Peptide Complex Receptor on Red Blood Cells. by: (書目-電子資源)

Machine Learning-Accelerated Computing of Molecular and Catalytic Properties of Metallic Alloys. by: (書目-電子資源)

Enantioselective Synthesis of Stereogenic-At-Phosphorus(V) Compounds via Hydrogen-Bond-Donor Catalysis. by: (書目-電子資源)

Spectroscopic Probes of Low-Barrier Proton-Transfer Dynamics. by: (書目-電子資源)

Developments in Auxiliary Field Quantum Monte Carlo for Molecules. by: (書目-電子資源)

Bottom-Up Synthesis of Colloidal Systems Using Sequence Defined Molecules. by: (書目-電子資源)

The Synthesis and Reactivity of New m-Terphenyl Substituted Aluminum Hydrides and Aluminum Iodides. by: (書目-電子資源)

Graphene Interfaces Studied by Nonlinear Optics. by: (書目-電子資源)

First-Principles Study of the Electric Field Effect on the Water-Adsorbed Rutile Titanium Dioxide Surface. by: (書目-電子資源)

Potential transformation of catecholamines to melanins in the presence of polysaccharides. by: (書目-電子資源)

Elucidating the Structures of Amyloid Oligomers with Chemical Model Systems. by: (書目-電子資源)

A multi-mode atmospheric ambient ionization source and its use for ion fragmentation investigations by mass spectrometry. by: (書目-電子資源)

Synthesis and Characterization of Salicylideneaniline Functionalized Molecular Rotors. by: (書目-電子資源)

Vibrational Energy Distribution, Electron Density and Electron Temperature Behavior in Nanosecond Pulse Discharge Plasmas by Raman and Thomson Scattering. by: (書目-電子資源)

Synthesis, characterization and redox behaviour of 1,2,4-dithiazolium salts and their radicals. by: (書目-電子資源)

CO2-selective polymer brush membranes and antibacterial polyelectrolyte multilayer membranes: Synthesis, characterization, and application. by: (書目-電子資源)

Novel compatibilized immiscible polymer blend based membranes for gas separations. by: (書目-電子資源)

Molecular modeling and simulation study of the structure and dynamics of confined ionic liquids and their performance in gas separations. by: (書目-電子資源)

Structure-function relationships and biological applications of conjugated oligoelectrolytes. by: (書目-電子資源)

Photocyclodehydrofluorination (PCDHF) - A synthetic method for fluorinated polynuclear aromatic hydrocarbons. by: (書目-電子資源)

Temperature- and pressure-induced protein dynamics from microseconds to minutes. by: (書目-電子資源)

Direct simulation of proton-coupled electron transfer reaction dynamics and mechanisms. by: (書目-電子資源)

Examining proton transport in perfluorosulfonic acid membranes using reactive molecular dynamics. by: (書目-電子資源)

Diet, bacteria and inflammation: The intestinal mucosa and metabolic syndrome. by: (書目-電子資源)

Computational study of water over titanium dioxide surfaces. by: (書目-電子資源)

Structure-Based Design and Development of Small Molecule Modulators of the CBX7 Chromodomain. by: (書目-電子資源)

On the Conformational Dynamics of DNA: A Perspective from Molecular Dynamics Simulations. by: (書目-電子資源)

The Synthesis and Photophysical Characterization of Porphyrin Photoactive Materials for Use as Sensitizers in Organic Photovoltaics and Photodynamic Therapy. by: (書目-電子資源)

Small-molecule TLR8 Antagonists via Structure-based Rational Design. by: (書目-電子資源)

Modeling of Reactive Oxygen Species Using Ab Initio Methods. by: (書目-電子資源)

Solvation Thermodynamic Mapping in Computer Aided Drug Design. by: (書目-電子資源)

Microwave Spectra and Molecular Structures of Organic Molecules and Hydrogen Bonded Dimers. by: (書目-電子資源)

Photoswitchable Materials for Catalytic Modulation of Nanoparticles. by: (書目-電子資源)

Influences of Amino Acids and Peptide Mutations on Material Morphology and Catalysis. by: (書目-電子資源)

Design, Development and Application of Analytical Apparatuses for Laser Electrospray Mass Spectrometry Analysis. by: (書目-電子資源)

New NMR Methods Applied to Carbohydrate Analysis. by: (書目-電子資源)

Frontiers in the Atomistic Modeling of Molecular Junctions: Bringing Theory Closer to Experiment. by: (書目-電子資源)

Fundamental Chemistry Involving Carbon-Donor-Stabilized Phosphorus(I) and Arsenic(I) Salts. by: (書目-電子資源)

Temperature and Polarizability Effects on Electron Transfer in Biology and Artificial Photosynthesis. by: (書目-電子資源)

Stimuli Responsive NCAs for the Preparation of Novel Biomaterials. by: (書目-電子資源)

Vibrational Spectroscopy on the Silicon Hydride Mode: Probing Ultrafast Dynamics in Small Molecules to Macromolecular Polymer Systems. by: (書目-電子資源)

Designing Transition Metal Complexes as Quantum Bit Candidates for Applications in Quantum Information Science. by: (書目-電子資源)

Rational Design and Structure-Property Relationships of Diazaperopyrenium Dications and Metal-Organic Frameworks. by: (書目-電子資源)

Topics in Supramolecular Chemistry: Nanococrystals, Chiral Cocrystals, and Acoustic Mixing. by: (書目-電子資源)

Cherenkov Radiation-Mediated Excitation of Luminescent Lanthanides. by: (書目-電子資源)

Magnesium as a regulator of hepatic NADPH in the hepatocyte: Prospective roles of magnesium in diabetes and obesity onset. by: (書目-電子資源)

Synthesis of Acetylenic Carbon Molecules via Pulsed Laser Ablation in Ethanol. by: (書目-電子資源)

Main Group-Catalyzed Carbon to Carbon Bond-Forming Reactions of Dicoordinate Carbocations. by: (書目-電子資源)

Expanding the Electrophile and Nucleophile Scope in Palladium/Lewis Base Cooperative Catalysis. by: (書目-電子資源)

Design of Durable and Efficient Catalysts for the Electro-Oxidation of Methanol. by: (書目-電子資源)

New Development on Graphene Contacted Single Molecular Junctions. by: (書目-電子資源)

Investigation of the Effects of Hyperbaric Oxygen (HBO2) on Opioid Withdrawal Using Both Behavioral and Molecular Techniques. by: (書目-電子資源)

Investigation of Structure and Li Dynamics in New Li Ion Conductors Using Solid State NMR Spectroscopy. by: (書目-電子資源)

Molecular Dynamics Simulations of Tight Junction Proteins. by: (書目-電子資源)

Supramolecular Interactions as a Basis for Differential Sensing Applications. by: (書目-電子資源)

Electron Microscopy Characterization of GaN-on-GaN Vertical Power Devices = = Electron Microscopy Characterization of GaN-on-GaN Vertical Power Devices . by: (書目-電子資源)

Mechanistic Studies of Iron, Manganese, and Cobalt Cluster Anions Functioning as Electrocatalysts for Solar Fuel Synthesis. by: (書目-電子資源)

The Development and Applications of Nuclear Magnetic Resonance Spectroscopy in Surface Interaction of Nanoparticles. by: (書目-電子資源)

Photophysical Studies to Advance Fluorescence Applications in Biophysics. by: (書目-電子資源)

Temporal and Spatial Nanobiomaterials for Tissue Engineering and Drug Delivery. by: (書目-電子資源)

The Molecular and Regulatory Mechanism of Multi-Subunit N-Terminal Acetyltransferases. by: (書目-電子資源)

Engineering Modular Synthetic Microbial Consortia for Sustainable Bioproduction from CO2. by: (書目-電子資源)

Exploring C−H Functionalization Reactions with Theory and Experiment. by: (書目-電子資源)

Synthesis of Imidazolidinones and Indolines Via Aza-Heck Cyclizations & Phosphonate-Directed C-H Borylation. by: (書目-電子資源)

Teasing Apart Excited-State Intramolecular Proton Transfer (Esipt) Fluorescence: An Evaluation of Solvent, Substituent, and Aromaticity Effects. by: (書目-電子資源)

Mechanism Behind Grain Boundary Segregation and Mechanical Properties Enhancement of CoCrFeMnNi High Entropy Alloy Through Molecular Dynamics Simulation. by: (書目-電子資源)

Design, Synthesis, and Characterization of Conductive Frameworks for Chemiresistive Gas Sensing. by: (書目-電子資源)

Bacterial Outer Membrane Vesicles as Mediators of Colibactin Toxicity. by: (書目-電子資源)

Interfacial Thermodynamics and Electrochemistry of Protein Partitioning in Two-Phase Systems. by: (書目-電子資源)

Boron Nitride Catalyst for Partial Oxidation of Hydrocarbons. by: (書目-電子資源)

Porous Nitrogen-Doped Electrocatalyst for the Oxygen Reduction Reaction in Alkaline Media. by: (書目-電子資源)

Molecular Orientation and Structure of Hydrogen Bonds at Water Interfaces. by: (書目-電子資源)

Studies on Solution and Solid-State Photoswitching and Fluorescence Properties of Bistable Photochromic Hydrazones. by: (書目-電子資源)

Using Molecular Simulations as an Integral Tool for Modeling Ionic Liquid Crystals and Colloidal Clusters. by: (書目-電子資源)

A Molecular Engineering Approach: Multi-Functional Binders Design for Lithium-Sulfur Battery. by: (書目-電子資源)

Quantum Transport Properties in Tungsten Ditelluride Based Devices. by: (書目-電子資源)

Hypervalent Iodine-Based Supramolecular Materials. by: (書目-電子資源)

Long-Range Charge Transport in Linear Molecular Chains. by: (書目-電子資源)

Computational Molecular Design for Developing Metal-Free Organic Emissive Materials. by: (書目-電子資源)

Palladium Biladiene Complexes Bearing Aryl Groups Through Organometallic Cross-Couplings for Sensitization of Singlet Oxygen for Photodynamic Cancer Therapy. by: (書目-電子資源)

A Comparison of the Oxidative Addition Chemistry of Tetrathiocins to p- and d- Block Elements. by: (書目-電子資源)

Evaluation and Development of Weakly Coordinating Cations and Their Application to Charge-Enhanced Base Organocatalysis. by: (書目-電子資源)

Molecular Modeling of High-Performance Thermoset Polymer Matrix Composites for Aerospace Applications. by: (書目-電子資源)

Light-Driven Carbene Catalysis for the Synthesis of Carbonyl Compounds. by: (書目-電子資源)

Impact of pH on the Removal of Cyanotoxins by Pac and Chlorine in Presence and Absence of Cyanobacterial Cells. by: (書目-電子資源)

Pediatric Cerebral Arachnoid Cysts are Genetically-Encoded Harbingers of Neurodevelopmental Pathology. by: (書目-電子資源)

Understanding Chromatin Compaction Transitions and Transcriptional Dynamics During Stem Cell Differentiation in Vivo. by: (書目-電子資源)

The Essential Protein Sts1 Facilitates 26s Proteasome Nuclear Import by a Unidirectional Mechanism in Saccharomyces cerevisiae. by: (書目-電子資源)

Impacts of Oil and Natural Gas Development and Other Sources on Volatile Organic Compound Concentrations in Broomfield, Colorado. by: (書目-電子資源)

Computational Methods Applied to the Study of the Structure, Spectra, and Reactivity of Small Organic Molecules. by: (書目-電子資源)

Organo-Functionalized Polyoxometalates. by: (書目-電子資源)

Studies in novel transition-metal-catalyzed oxidative coupling reactions. by: (書目-電子資源)

Organic molecular cages as templates for the synthesis of metallic nanoparticles: From stabilization to application and assembly. by: (書目-電子資源)

Infrared spectroscopy, UV photochemistry, and H-atom tunneling reactions of molecules trapped in parahydrogen crystals. by: (書目-電子資源)

N-Heterocyclic and Mesoionic Carbene Complexes of Rhodium and Palladium: Coordination Chemistry and Catalysis. by: (書目-電子資源)

Highly selective rhodium-catalyzed C-H borylations in preparation of substrates for Suzuki-Miyaura cross-couplings: Mono- and chemoselective formation of aromatic compounds. by: (書目-電子資源)

Mechanistic Studies in Heterogeneous Catalysis via in situ FT-IR Spectroscopy. by: (書目-電子資源)

Using Dynamic Covalent Chemistry in Crosslinked Glassy Polymers to Achieve Stress Relaxation and Improve Material Performance. by: (書目-電子資源)

First Principles Studies of Aqueous Systems at Ambient and Extreme Conditions. by: (書目-電子資源)

Quantum Dynamics of Molecular Spontaneous Emission Process in a Complex Dielectric Environment. by: (書目-電子資源)

Simulation Studies of Peptide Aggregation. by: (書目-電子資源)

Self-Assembled Monolayers at the Solid-Liquid Interface: Design, Post-Modification and Effects of Molecular Variations as Compared to Homogenous Systems. by: (書目-電子資源)

Development of a reaxff reactive force field for silicon/oxygen/hydrogen/fluoride interactions and applications to hydroxylation and friction. by: (書目-電子資源)

Computational Optimization and Characterization of Molecularly Imprinted Polymers. by: (書目-電子資源)

Strong Electron Donor Ligands and their Catalytic Applications. by: (書目-電子資源)

Site-discrimination by molecular imposters at dissymmetric molecular crystal surfaces. by: (書目-電子資源)

From Virtual High-throughput Screening and Machine Learning to the Discovery and Rational Design of Polymers for Optical Applications. by: (書目-電子資源)

Development of Biocatalytic Strategies for the Directed Oxidation of Small Molecule and Macrocyclic Substrates. by: (書目-電子資源)

Mechanistic Studies of DNA Replication, Lesion Bypass, and Editing. by: (書目-電子資源)

Extension of Similarity Functions and Their Application to Chemical Informatics Problems. by: (書目-電子資源)

Orbital Overlap as a Tool in Computational Design of Molecules. by: (書目-電子資源)

Halogen-Bonded Materials. by: (書目-電子資源)

Encapsulation of Organic Thermochromic Materials with Silicon Dioxide. by: (書目-電子資源)

Metal Directed Supramolecular Assemblies for Optical Materials: Chemosensor Design and Application. by: (書目-電子資源)