Chemical physics (Page 1)

General Relationship for the Thermal Oxidation of Silicon

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

Phase-change materials for rewriteable data storage

Starburst Dendrimers: Molecular‐Level Control of Size, Shape, Surface Chemistry, Topology, and Flexibility from Atoms to Macroscopic Matter

Evidence for the Formation of Symmetric and Asymmetric DLPC-DAPC Lipid Bilayer Domains

Functional Supramolecular Polymers

New empirical approach for the structure and energy of covalent systems

Particles as surfactants—similarities and differences

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

Understanding organofluorine chemistry. An introduction to the C–F bond

Fingerprinting intermolecular interactions in molecular crystals

The Energy Landscapes and Motions of Proteins

Reversible Unfolding of Individual Titin Immunoglobulin Domains by AFM

Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles

Reversible Electrical Switching Phenomena in Disordered Structures

Electronic structure of atomically resolved carbon nanotubes

Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces

Self-assembly of block copolymers

Bond-orientational order in liquids and glasses

Simultaneous phase and size control of upconversion nanocrystals through lanthanide doping

Crystal Structure and Pair Potentials: A Molecular-Dynamics Study

Structure-Assigned Optical Spectra of Single-Walled Carbon Nanotubes

Engineering the surface structure of MoS2 to preferentially expose active edge sites for electrocatalysis

Theoretical aspects of DNA-protein interactions: Co-operative and non-co-operative binding of large ligands to a one-dimensional homogeneous lattice

Why gold is the noblest of all the metals

The molecular theory of polyelectrolyte solutions with applications to the electrostatic properties of polynucleotides

Superhydrophobic states

Surface-enhanced Raman scattering

Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems

Extreme Oxygen Sensitivity of Electronic Properties of Carbon Nanotubes

Limiting Laws and Counterion Condensation in Polyelectrolyte Solutions I. Colligative Properties

The physics of simple metal clusters: experimental aspects and simple models

Intermolecular and Surface Forces

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites

The Grotthuss mechanism

Classical Electrostatics in Biology and Chemistry

First-principles calculations for defects and impurities: Applications to III-nitrides

Molecular dynamics study of melting and freezing of small Lennard-Jones clusters

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Memristive switching mechanism for metal/oxide/metal nanodevices

Band gaps and electronic structure of transition-metal compounds

Origin of ferroelectricity in perovskite oxides

Design and self-assembly of two-dimensional DNA crystals

Density Functional Theory of Electronic Structure

Designing Superoleophobic Surfaces

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

Fast Mass Transport Through Sub-2-Nanometer Carbon Nanotubes

Coupled-cluster theory in quantum chemistry

Bond Dissociation Energies of Organic Molecules

A route to high surface area, porosity and inclusion of large molecules in crystals

Vibrational Spectroscopy and Conformation of Peptides, Polypeptides, and Proteins

Ionic liquids. Green solvents for the future

Self-healing and thermoreversible rubber from supramolecular assembly

On the Theory of Electron-Transfer Reactions. VI. Unified Treatment for Homogeneous and Electrode Reactions

Overstretching B-DNA: The Elastic Response of Individual Double-Stranded and Single-Stranded DNA Molecules

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

Nanoporous BiVO ₄ Photoanodes with Dual-Layer Oxygen Evolution Catalysts for Solar Water Splitting

Nucleation and growth of thin films

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

POTENTIAL, IMPEDANCE, AND RECTIFICATION IN MEMBRANES

Impermeable Atomic Membranes from Graphene Sheets

Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts

Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries

Mixed Valence Chemistry-A Survey and Classification

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update

Evolution of nanoporosity in dealloying

Sonochemistry

Structure of a Thiol Monolayer-Protected Gold Nanoparticle at 1.1 Å Resolution

Electrical conductivity of individual carbon nanotubes

Size and Temperature Dependence of the Plasmon Absorption of Colloidal Gold Nanoparticles

Structure of lipid bilayers

On Interaction between Two Bodies Immersed in a Solution of Macromolecules

Non-crystalline Structure in Solidified Gold–Silicon Alloys

Atomic structure and electronic properties of single-walled carbon nanotubes

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Dynamic strength of molecular adhesion bonds

Transferable Potentials for Phase Equilibria. 1. United-Atom Description of <i>n</i>-Alkanes

Wetting and spreading

Tightly bound trions in monolayer MoS2

Structure and growth of self-assembling monolayers

Magnetic metal–organic frameworks

Doping Graphene with Metal Contacts

Dielectric relaxation in solids

Resonating valence bonds: A new kind of insulator?

Attenuated <i>T</i> ₂ relaxation by mutual cancellation of dipole–dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution

Characterization of electronic transitions in complex molecules

Imperfect Oriented Attachment: Dislocation Generation in Defect-Free Nanocrystals

The interaction of water with solid surfaces: Fundamental aspects

Graph-set analysis of hydrogen-bond patterns in organic crystals

Influence of Energy Transfer by the Exchange Mechanism on Donor Luminescence

Lanthanide Double-Decker Complexes Functioning as Magnets at the Single-Molecular Level

Chemical accuracy for the van der Waals density functional

Electron Transport in Molecular Wire Junctions

Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

Electronic Transport Properties of Individual Chemically Reduced Graphene Oxide Sheets

Spectroscopy of Single Hemoglobin Molecules by Surface Enhanced Raman Scattering

Spatially Heterogeneous Dynamics in Supercooled Liquids