Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector

DOI10.1016/J.COMPBIOLCHEM.2007.02.002MaRDI QIDQ2373309zbMATH OpenOpenAlexDBLPWikidataFDO

Authors Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski

Publication date 17 July 2007

Published in Computational Biology and Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.compbiolchem.2007.02.002

zbMATH Keywords

Predictive modeling

Mathematics Subject Classification ID

Chemistry (92E99)

Recommendations

• Water sorption characteristics of carbon nanostructures calculated on the basis of the Ornstein-Zernike equation
• Orientations of special water dipoles that accelerate water molecules exiting from carbon nanotube
• QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-based optimal descriptors
• Prediction of chirality- and size-dependent elastic properties of single-walled carbon nanotubes via a molecular mechanics model
• Evaluation of nonlocal parameter for single-walled carbon nanotubes with arbitrary chirality
• scientific article; zbMATH DE number 1866978
• Molecular dynamics simulations of the wetting behavior of carbon nanotubes in liquid copper

Cited in

(4)

• Additive InChI-based optimal descriptors: QSPR modeling of fullerene \(\text C_{60}\) solubility in organic solvents
• Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems
• QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by CORAL
• Prediction of critical micelle concentration of cationic surfactants using connectivity indices

This page was built for publication: Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2373309)