Index of Keywords

molecular machinery

Biomolecular activity switch: an application of metallic nanoparticle plasmon resonance

molecular machines

DNA Machines for Molecular Self-Assembly

molecular mechanics

Template Recognition of Organosiloxane Stereoregular Macrocycles. Computational and Experimental Modeling of Sol-Gel Systems Formation

CONFLEX: Conformational Behaviors of Polypeptides as Predicted by a Conformational Space Search

Realistic Modeling of Complex Surface Processes

The Two-Layer ONIOM Technique in the Studies of Chemical Reactions on Carbon Nanotube Tips

Self-Assembly of Tetraazamacrocyclic Compounds on Single-Walled Carbon Nanotubes: Experimental and Theoretical Studies

Brittle Ductile Transition in Carbon Nanotube Bundles

molecular memories

Computing Metallofullerenes as Agents of Nanoscience: Gibbs Energy Treatment of Ca@C72, Ca@C82, and La@C82

Computations on (Li)x@C60

Computations on Encapsulations of Lanthanides into C74

molecular memory

Translating the Integration Challenges to Molecular Device Requirements - Analysis of Scaling Constraints in Molecular Random Access Memories

molecular mobility

Viscoelastic Relaxation and Molecular Mobility of Hyperbranched Poly(epsilon-caprolactone)s in Their Melt State

molecular modeling

Molecular Modeling of Proton Conduction in Polymer Electrolyte Membranes of Nafion® Type

Characterization of a Solid State DNA Nanopore Sequencer using Multi-Scale (Nano-to-Device) Modeling

Fast Density-Functional-Theory Calculation With Q-Chem Program

Quantitative Analysis of HBV Capsid Protein Geometry Based Upon Computational Nanotechnology

DFT Calculation of interaction energies in model alanine and valine using different Basis sets

Computations on Encapsulations of Lanthanides into C74

A Multiscale Modeling Approach for Microelectronic Packaging Applications