The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter
Journal
Overview
publication venue for
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Water-Hydrocarbon Interactions in Anionic Pyrene Monohydrate
2024
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Biophysical Rationale for the Selective Inhibition of PTP1B over TCPTP by Nonpolar Terpenoids
2023
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Influence of Backbone Regioregularity on the Optoelectronic and Mechanical Response of Conjugated Polyelectrolyte-Based Hydrogels
2023
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Allosteric Inhibition of PTP1B by a Nonpolar Terpenoid
2022
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Thermal Insolubilization of Electrically n-Doped Films Achieved Using 7-Alkoxy-Benzocyclobutene-Substituted Fullerene and Dopant Molecules
2022
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Directed Evolution of a Bright Variant of mCherry: Suppression of Nonradiative Decay by Fluorescence Lifetime Selections
2022
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Water-in-Salt LiTFSI Aqueous Electrolytes. 1. LiquidStructure from Combined Molecular Dynamics Simulation and Experimental Studies (vol 125, pg 4501, 2021)
2022
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Surface Structure of Alkyl/Fluoroalkylimidazolium Ionic-Liquid Mixtures
2022
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Cylindrical Confinement of Nanocolloidal Cholesteric Liquid Crystal
2021
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Insulin Fibril Formation Caused by Mechanical Shock and Cavitation
2021
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Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies
2021
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Fabrication and Electric Field-Driven Active Propulsion of Patchy Microellipsoids
2021
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Using Deposition Rate and Substrate Temperature to Manipulate Liquid Crystal-Like Order in a Vapor-Deposited Hexagonal Columnar Glass
2021
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Stable Glasses of Organic Semiconductor Resist Crystallization
2021
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Morphology of Lyotropic Myelin Figures Stained with a Fluorescent Dye
2020
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Active-Site Environmental Factors Customize the Photophysics of Photoenzymatic Old Yellow Enzymes
2020
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UV-to-IR Absorption of Molecularly p-Doped Polythiophenes with Alkyl and Oligoether Side Chains: Experiment and Interpretation Based on Density Functional Theory
2020
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Quantitative Analysis of Doping-Induced Polarons and Charge-Transfer Complexes of Poly(3-hexylthiophene) in Solution
2020
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Molecular Orientation for Vapor-Deposited Organic Glasses Follows Rate-Temperature Superposition: The Case of Posaconazole
2020
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Carotenoid Nuclear Reorganization and Interplay of Bright and Dark Excited States
2019
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The JPC Periodic Table
2019
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Intramolecular Fluorescent Protein Association in a Class of Zinc FRET Sensors Leads to Increased Dynamic Range
2019
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Renewable Hydride Donors for the Catalytic Reduction of CO2: A Thermodynamic and Kinetic Study
2018
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Inhibition of the Exoglucanase Cel7A by a Douglas-Fir-Condensed Tannin
2018
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Connections between the Anomalous Volumetric Properties of Alcohols in Aqueous Solution and the Volume of Hydrophobic Association
2018
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Predicting Hydride Donor Strength via Quantum Chemical Calculations of Hydride Transfer Activation Free Energy
2018
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Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic Liquids
2017
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Mechanism of competitive inhibition and destabilization of Acidothermus; Cellulolyticus Endoglucanase 1 by ionic liquids
2017
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Mechanism of competitive inhibition and destabilization of Acidothermus; Cellulolyticus Endoglucanase 1 by ionic liquids
2017
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Effect of Conformational Chirality on Optical Activity Observed in a Smectic of Achiral, Bent-Core Molecules
2017
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Aminopolymer Mobility and Support Interactions in Silica-PEI Composites for CO2 Capture Applications: A Quasielastic Neutron Scattering Study
2017
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Nanosegregation and Structuring in the Bulk and at the Surface of Ionic-Liquid Mixtures
2017
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Dihydropteridine/Pteridine as a 2H+/2e- Redox Mediator for the Reduction of CO2 to Methanol: A Computational Study
2017
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Solvation Dynamics in Liquid Water. III. Energy Fluxes and Structural Changes
2017
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The Dynamics of Water in Porous Two-Dimensional Crystals
2017
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Phototropic Guest-Host Liquid Crystal Systems: Environmental Effects on Naphthopyran Kinetics
2016
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Solvation Dynamics in Water: 2. Energy Fluxes on Excited- and Ground-State Surfaces
2016
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The Partitioning of Small Aromatic Molecules to Air-Water and Phospholipid Interfaces Mediated by Non-Hydrophobic Interactions
2016
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Acetylation of Surface Lysine Groups of a Protein Alters the Organization and Composition of Its Crystal Contacts
2016
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Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids As Determined by Molecular Simulations
2016
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How Acidic Is Carbonic Acid?
2016
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Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution I: Acid and Base Coordinate and Charge Dynamics
2016
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Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path
2016
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Effect of Solvent Dielectric Constant and Acidity on the OH Vibration Frequency in Hydrogen-Bonded Complexes of Fluorinated Ethanols
2015
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Interaction of L-Phenylalanine with a Phospholipid Monolayer at the Water-Air Interface
2015
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Charge Hopping Dynamics along a Disordered Chain in Quantum Environments: Comparative Study of Different Rate Kernels
2015
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Photoinduced Carrier Generation and Recombination Dynamics of a Trilayer Cascade Heterojunction Composed of Poly(3-hexylthiophene), Titanyl Phthalocyanine, and C60
2015
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Solvation Dynamics in Liquid Water. 1. Ultrafast Energy Fluxes
2015
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The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids
2015
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Time and Frequency-Domain Measurement of Ground-State Recovery Times in Red Fluorescent Proteins
2015
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Kinetic and Thermodynamic Origins of Osmolyte-Influenced Nucleic Acid Folding
2015
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Excited State Electronic Landscape of mPlum Revealed by Two-Dimensional Double Quantum Coherence Spectroscopy
2015
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Solvent-Induced O-H Vibration Red-Shifts of Oxygen-Acids in Hydrogen-Bonded O-H...Base Complexes
2015
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Solvent-Induced Red-Shifts for the Proton Stretch Vibrational Frequency in a Hydrogen-Bonded Complex. 1. A Valence Bond-Based Theoretical Approach
2014
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Hydrogen Bond Flexibility Correlates with Stokes Shift in mPlum Variants
2014
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The Tunable Hydrophobic Effect on Electrically Doped Graphene
2014
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Theoretical Study of Water Oxidation by the Ruthenium Blue Dimer. II. Proton Relay Chain Mechanism for the Step [bpy(2)(HOO)(RuORuIV)-O-IV(OH)bpy(2)](4+) -> [bpy(2)(O-2(-))(RuORuIII)-O-IV(OH2)bpy(2)](4+)
2013
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Two-Dimensional GIWAXS Reveals a Transient Crystal Phase in Solution-Processed Thermally Converted Tetrabenzoporphyrin
2013
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Modeling Spatial Correlation of DNA Deformation: DNA Allostery in Protein Binding
2013
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Mediating Electrostatic Binding of 1-Butyl-3-methylimidazolium Chloride to Enzyme Surfaces Improves Conformational Stability
2013
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Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-Diphenylisobenzofuran
2013
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Ultrafast Librational Relaxation of H2O in Liquid Water
2013
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A Microscopic Model of Singlet Fission
2012
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Pressure-Induced Changes in the Fluorescence Behavior of Red Fluorescent Proteins
2012
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Hydrophobic Collapse of a Stearic Acid Film by Adsorbed L-Phenylalanine at the Air-Water Interface
2012
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Dynamical Behavior Near a Liquid-Liquid Phase Transition in Simulations of Supercooled Water
2011
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Homeotropic Alignment and Director Structures in Thin Films of Triphenylamine-Based Discotic Liquid Crystals Controlled by Supporting Nanostructured Substrates and Surface Confinement
2011
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Electronic and Optical Properties of 4H-Cyclopenta[2,1-b center dot 3,4-b ']bithiophene Derivatives and Their 4-Heteroatom-Substituted Analogues: A Joint Theoretical and Experimental Comparison
2010
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Singlet Exciton Fission for Solar Cell Applications Energy Aspects of Interchromophore Coupling
2010
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Phospholipid Diffusion at the Oil-Water Interface
2010
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Self-Assembly of Linactants: Micelles and Lyotropic Liquid Crystals in Two Dimensions
2010
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Cross-Linked Bioreducible Layer-by-Layer Films for Increased Cell Adhesion and Transgene Expression
2010
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Water Hydrogen Bond Dynamics in Aqueous Solutions of Amphiphiles
2010
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Water Hydrogen-Bond Dynamics around Amino Acids: The Key Role of Hydrophilic Hydrogen-Bond Acceptor Groups
2010
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Electronic Properties of the 2,6-Diiododithieno[3,2-b:2 ',3 '-d]thiophene Molecule and Crystal: A Joint Experimental and Theoretical Study
2010
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Linear and Nonlinear Spectroscopy of a Porphyrin-Squaraine-Porphyrin Conjugated System
2009
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Mechanism of Cdc25B Phosphatase with the Small Molecule Substrate p-Nitrophenyl Phosphate from QM/MM-MFEP Calculations
2009
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Water Modeled As an Intermediate Element between Carbon and Silicon
2009
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Why Water Reorientation Slows without Iceberg Formation around Hydrophobic Solutes
2009
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On the Molecular Mechanism of Water Reorientation
2008
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On the residence time for water in a solute hydration shell: Application to aqueous halide solutions
2008
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The subdiffusive targeting problem
2008
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Autobiography of James T. (Casey) Hynes
2008
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Heterogeneous nucleation of nitric acid trihydrate on clay minerals: Relevance to Type Ia polar stratospheric clouds
2008
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Ion chemistry of 1H-1,2,3-Triazole
2008
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Oxidation of organic films by beams of hydroxyl radicals
2008
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Vibrational spectroscopy of perfluorocarboxylic acids from the infrared to the visible regions
2008
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Fatty-acid monolayers at the nematic/water interface: Phases and liquid-crystal alignment
2007
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Multiple time scales in solvation dynamics of DNA in aqueous solution: The role of water, counterions, and cross-correlations
2006
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III-V nitride epilayers for photoelectrochemical water splitting: GaPN and GaAsPN
2006
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Influence of surface area on charge transport and recombination in dye-sensitized TiO2 solar cells.
2006
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Kinetics of PL quenching during single-walled carbon nanotube rebundling and diameter-dependent surfactant interactions
2006
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Nanocrystalline TiO2 solar cells sensitized with InAs quantum dots
2006
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Photoinduced charge carrier generation in a poly(3-hexylthiophene) and methanofullerene bulk heterojunction investigated by time-resolved terahertz spectroscopy
2006
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Self-assembly of linear arrays of semiconductor nanoparticles on carbon single-walled nanotubes
2006
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Small molecule chemisorption on indium-tin oxide surfaces: enhancing probe molecule electron-transfer rates and the performance of organic light-emitting diodes
2006
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Time-resolved photoconductivity of PbSe nanocrystal arrays
2006
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Autobiography and Scientific History of Arthur J. Nozik
2006
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Entropy of water in the hydration layer of major and minor grooves of DNA
2006
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Electron Transfer Driven by Proton Fluctuations in a Hydrogen-Bonded Donor−Acceptor Assembly
2006
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Mechanistic study of the electrochemical oxygen reduction reaction on Pt(111) using density functional theory
2006
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Hyperthermal reactions of O and O-2 with a hydrocarbon surface: Direct C-C bond breakage by O and H-atom abstraction by O-2
2006
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Depth and angular profiles of inelastic low-energy electron scattering in condensed molecular samples
2006
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Dependence of band offset and open-circuit voltage on the interfacial interaction between TiO2 and carboxylated polythiophenes
2006
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Effect of a coadsorbent on the performance of dye-sensitized TiO2 solar cells: shielding versus band-edge movement.
2005
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Theoretical study of the first acid dissociation of H2SO4 at a model aqueous surface
2005
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Charge separation in heterostructures of InP nanocrystals with metal particles
2005
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Quenching of semiconductor quantum dot photoluminescence by a pi-conjugated polymer
2005
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Structure and electrocatalysis of sputtered RuPt thin-film electrodes
2005
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Local atomic structure of partially ordered NiMn in NiMn/NiFe exchange coupled layers: 1. XAFS measurements and structural refinement
2005
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Spatially anisotropic etching of graphite by hyperthermal atomic oxygen
2005
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Absorption cross-section and related optical properties of colloidal InAs quantum dots
2005
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Theoretical study of the adsorption and dissociation of oxygen on Pt(111) in the presence of homogeneous electric fields
2005
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Electron and hole transfer from indium phosphide quantum dots
2005
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Quantum chemistry based statistical mechanical model of hydrogen desorption from Si(100)-2 x 1, Ge(100)-2 x 1, and SiGe alloy surfaces
2004
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Atomic layer deposition of HfO2 using alkoxides as precursors
2004
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Mesostructured silica/block copolymer composites as hosts for optically limiting tetraphenylporphyrin dye molecules
2004
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Off-lattice simulation of multifunctional monomer polymerizations: Effects of monomer mobility, structure, and functionality on structural evolution at low conversion
2004
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Electron-transport properties and use in organic light-emitting diodes of a bis(dioxaborine)fluorene derivative
2004
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Limitations of essential-state models for the description of two-photon absorption processes: The example of bis(dioxaborine)-substituted chromophores
2004
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Trends in optical nonlinearity and thermal stability in electrooptic chromophores based upon the 3-(dicyanomethylene)-2,3-dihydrobenzothiopene-1, 1-dioxide acceptor
2004
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A density functional theory study on the effect of Ge alloying on hydrogen desorption from SiGe alloy surfaces
2004
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A quantum chemical study of the atomic layer deposition of Al2O3 using AlCl3 and H2O as precursors
2004
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Observation of Proton-Coupled Electron Transfer by Transient Absorption Spectroscopy in a Hydrogen-Bonded, Porphyrin Donor−Acceptor Assembly
2004
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Oxygen Permeability of Fully Condensed Lipid Monolayers
2004
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Mode-selective optical Kerr effect spectroscopy
2004
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Chemical imaging of photoresists with coherent anti-Stokes Raman scattering (CARS) microscopy
2004
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Electron transfer dynamics in quantum dot/titanium dioxide composites formed by in situ chemical bath deposition
2003
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Reactions of nitriles at semiconductor surfaces
2003
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Photoenhancement of luminescence in colloidal CdSe quantum dot solutions
2003
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Quantum chemical study of zirconium oxide deposition on the Si(100)-(2x1) surface
2003
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Editorial note to the Arnim Henglein Festschrift
2003
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Controlled synthesis and assembly of FePt nanoparticles
2003
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Reactions of cyclic aliphatic and aromatic amines on Ge(100)-2x1 and Si(100)-2x1
2003
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Rate and mechanisms for water exchange around Li+(aq) from MD simulations
2003
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Isothermal desorption kinetics of crystalline H2O, H218O, and D2O ice multilayers
2003
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Electron relaxation in colloidal InP quantum dots with photogenerated excitons or chemically injected electrons
2003
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Theoretical study of the adsorption of acetylene on the (111) surfaces of Pd, Pt, Ni, and Rh
2003
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Excitation energy dependent efficiency of charge carrier relaxation and photoluminescence in colloidal InP quantum dots
2002
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Electron and hole adducts formed in illuminated InP colloidal quantum dots studied by electron paramagnetic resonance
2002
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Effects of solvent quality during polymerization on network structure of cross-linked methacrylate copolymers
2002
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Density functional theory study of atomic nitrogen on the Si(100)-(2 x 1) surface
2002
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Continuous-wave and time-resolved optically detected magnetic resonance studies of nonetched/etched InP nanocrystals
2002
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A theoretical analysis of the sum frequency generation spectrum of the water surface. II. Time-dependent approach
2002
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Example of a thermodynamically controlled reaction on a semiconductor surface: Acetone on Ge(100)-2 x 1
2001
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Topological disorder and reactivity of borosilicate glasses: Quantum chemical calculations and O-17 and B-11 NMR study
2001
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DFT study of the adsorption of chlorosilanes on the Si(100)-2 x 1 surface
2001
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The formation of epoxides from reactions of oxametallacycles on Ag(110): A density functional theory study
2001
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A statistical kinetic model for the bulk degradation of PLA-b-PEG-b-PLA hydrogel networks:: Incorporating network non-idealities
2001
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A generalized bulk-degradation model for hydrogel networks formed from multivinyl cross-linking molecules
2001
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Origin of the Metallization of c-Axis Resistivity upon Iodine Intercalation into Bi2Sr2CaCu2O8+δ
2001
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Experimental and theoretical probes of the structure of oxametallacycle intermediates derived from 1-epoxy-3-butene on Ag(110)
2001
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Effect of a methyl-protecting group on the adsorption of pyrrolidine on Si(100)-2 x 1
2001
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Core-shell quantum dots of lattice-matched ZnCdSe2 shells on InP cores:: Experiment and theory
2000
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Evolution of a steady state island size distribution during self-assembled monolayer dissolution
2000
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A statistical kinetic model for the bulk degradation of PLA-b-PEG-b-PLA hydrogel networks
2000
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Polymorphism in phthalocyanine thin films:: Mechanism of the α-β transition
2000
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Addition spectra of quantum dots: the role of dielectric mismatch
2000
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Mechanism governing microparticle morphology during precipitation by a compressed antisolvent: Atomization vs nucleation and growth
2000
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Ab initio study of adsorption and decomposition of NH3 on Si(100)-(2x1)
2000
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Electron transfer reactions of hydrophobic metallocenes with aqueous redox couples at liquid-liquid interfaces. 1. Solvent, electrolyte, partitioning, and thermodynamic issues
2000
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Stabilities of substituted oxametallacycle intermediates: Implications for regioselectivity of epoxide ring opening and olefin epoxidation
1999
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A wave packet model for electron transfer and its implications for the semiconductor-liquid interface
1999
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Cycloaddition of cyclopentadiene and dicyclopentadiene on Si(100)-2x1: Comparison of monomer and dimer adsorption
1999
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Effect of HNO3 and HCl on HDO diffusion on crystalline D2O ice multilayers
1999
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Femtosecond IR study of excited-state relaxation and electron-injection dynamics of Ru(dcbpy)2(NCS)2 in solution and on nanocrystalline TiO2 and Al2O3 thin films
1999
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Fast electron transfer across semiconductor-molecule interfaces: GaAs/Co(Cp)(2)(+/0)
1999
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Allen J. Bard Festschrift - A personal note
1998
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Optical, electronic, and structural properties of uncoupled and close-packed arrays of InP quantum dots
1998
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Adsorption of H2O on a single-crystal α-Al2O3(0001) surface
1998
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A conformational phase transition in a Langmuir film of an amphiphilic azacrown
1998
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Dynamics of electron injection in nanocrystalline titanium dioxide films sensitized with [Ru(4,4′-dicarboxy-2,2′-bipyridine)2(NCS)2] by infrared transient absorption
1998
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High-energy excitonic transitions in CdSe quantum dots
1998
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Photopumping in liquid membranes containing photoactive carriers
1998
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Photomodulation of transport rates in liquid membranes containing photoactive carriers
1998
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Infrared resonant desorption of H2O from ice multilayers
1998
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Experimental studies of vapor-deposited water-ice firms using grazing-angle FTIR-reflection absorption spectroscopy
1997
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Molecular mechanism of HCl acid ionization in water: Ab initio potential energy surfaces and Monte Carlo simulations
1997
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Kinetics of self-assembled monolayer growth explored via submonolayer coverage of incomplete films
1997
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Electron transfer rate constants for majority electrons at GaAs and GaInP2 semiconductor-liquid interfaces
1997
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Photomodulation and photopumping in membranes containing carriers optimized for facilitated transport in the dark
1997
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Water core within perfluoropolyether-based microemulsions formed in supercritical carbon dioxide
1997
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Diffusion of HDO into single-crystal (H2O)-O-16 ice multilayers: Comparison with (H2O)-O-18
1997
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Size-dependent spectroscopy of InP quantum dots
1997
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Charge recombination in dye-sensitized nanocrystalline TiO2 solar cells
1997
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Heinz Gerischer - March 31, 1919 September 14, 1994
1997
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Heinz Gerischer - March 31, 1919 September 14, 1994 - Biography
1997
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Theoretical studies of electron transfer and electron localization at the semiconductor-liquid interface
1997
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A Personal Note
1997
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Gerischer, Heinz-March 31, 1919 September 14, 1994
1997
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Gerischer, Heinz-March 31, 1919 September 14, 1994-Biography
1997
Research
keywords
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03 Chemical Sciences, 09 Engineering, 02 Physical Sciences