Electrostatics of DNA nucleotide–carbon nanotube hybrids evaluated from QM:MM simulations

A QM:MM model for the interaction of DNA nucleotides with carbon nanotubes

(2015) Morteza Chehel Amirani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stability of Nucleobases and Base Pairs Adsorbed on Graphyne and Graphdiyne

(2014) S. Chandra Shekar et al.   Journal of Physical Chemistry C

Noncovalent Interactions of DNA Bases with Naphthalene and Graphene

(2013) Yeonchoo Cho et al.   Journal of Chemical Theory and Computation

Understanding the Interaction of Nucleobases with Chiral Semiconducting Single-Walled Carbon Nanotubes: An Alternative Theoretical Approach Based on Density Functional Reactivity Theory

(2013) Amrit Sarmah et al.   Journal of Physical Chemistry C

Physisorption of DNA Nucleobases on h-BN and Graphene: vdW-Corrected DFT Calculations

(2013) Jun-Ho Lee et al.   Journal of Physical Chemistry C

Interaction of Nucleobases and Aromatic Amino Acids with Graphene Oxide and Graphene Flakes

(2013) Hakkim Vovusha et al.   Journal of Physical Chemistry Letters

Quantum mechanical treatment of binding energy between DNA nucleobases and carbon nanotube: A DFT analysis

(2013) Morteza Chehel Amirani et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

A model for carbon nanotube–DNA hybrid using one-dimensional density of states

(2012) Oxana Malysheva et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Structural Characteristics of Oligomeric DNA Strands Adsorbed onto Single-Walled Carbon Nanotubes

(2012) Daniel Roxbury et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interaction of Nucleobases with Wrinkled Graphene Surface: Dispersion Corrected DFT and AFM Studies

(2012) Swati Panigrahi et al.   Journal of Physical Chemistry C

On modeling biomolecular–surface nonbonded interactions: application to nucleobase adsorption on single-wall carbon nanotube surfaces

(2012) B Akdim et al.   NANOTECHNOLOGY

Binding Force Between a Charged Wall and a Complex Formed by a Polyelectrolyte and an Electronically Responsive Cylinder

(2011) Oxana Malysheva et al.   The Journal of Adhesion

Quantum Mechanical Study of Physisorption of Nucleobases on Carbon Materials: Graphene versus Carbon Nanotubes

(2011) Deivasigamani Umadevi et al.   Journal of Physical Chemistry Letters

Transducing methyltransferase activity into electrical signals in a carbon nanotube–DNA device

(2011) Hanfei Wang et al.   Chemical Science

Interaction of nucleic acid bases with single-walled carbon nanotube

(2009) M.K. Shukla et al.   CHEMICAL PHYSICS LETTERS

Assessment of approximate quantum chemical methods for calculating the interaction energy of nucleic acid bases with graphene and carbon nanotubes

(2009) Anitha Ramraj et al.   CHEMICAL PHYSICS LETTERS

Structure of a polyelectrolyte around an electronically responsive cylinder

(2009) Chongbo Sun et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Measurement of Electrostatic Properties of DNA-Carbon Nanotube Hybrids by Capillary Electrophoresis

(2009) Constantine Y. Khripin et al.   Journal of Physical Chemistry C

Calculations of the resonant response of carbon nanotubes to binding of DNA

(2009) Meng Zheng et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Enzyme-Mediated Assimilation of DNA-Functionalized Single-Walled Carbon Nanotubes

(2009) Clint M. Arnett et al.   LANGMUIR

DNA sequence motifs for structure-specific recognition and separation of carbon nanotubes

(2009) Xiaomin Tu et al.   NATURE

Physisorption of adenine DNA nucleosides on zigzag and armchair single-walled carbon nanotubes: A first-principles study

(2009) Hongming Wang et al.   PHYSICAL REVIEW B

DNA-Wrapped Single-Walled Carbon Nanotube Hybrid Fibers for supercapacitors and Artificial Muscles

(2008) S. R. Shin et al.   ADVANCED MATERIALS

Noncovalent Assembly of Carbon Nanotubes and Single-Stranded DNA: An Effective Sensing Platform for Probing Biomolecular Interactions

(2008) Ronghua Yang et al.   ANALYTICAL CHEMISTRY

Stacking interaction of cytosine with carbon nanotubes: MP2, DFT and Raman spectroscopy study

(2008) S.G. Stepanian et al.   CHEMICAL PHYSICS LETTERS

Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment

(2008) Anindya Das et al.   CHEMICAL PHYSICS LETTERS

Adhesion between a charged particle in an electrolyte solution and a charged substrate: Electrostatic and van der Waals interactions

(2008) Oxana Malysheva et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Simulation of the Adsorption of Nucleotide Monophosphates on Carbon Nanotubes in Aqueous Solution

(2008) Amalie L. Frischknecht et al.   Journal of Physical Chemistry C

Theoretical Evidence for the Stronger Ability of Thymine to Disperse SWCNT than Cytosine and Adenine: Self-Stacking of DNA Bases vs Their Cross-Stacking with SWCNT

(2008) Yixuan Wang   Journal of Physical Chemistry C

A DNA-based approach to the carbon nanotube sorting problem

(2008) Xiaomin Tu et al.   Nano Research

First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes

(2008) S Gowtham et al.   NANOTECHNOLOGY

Structures and interaction energies of stacked graphene–nucleobase complexes

(2008) Jens Antony et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption ofH2O,NH3, CO,NO2, and NO on graphene: A first-principles study

(2008) O. Leenaerts et al.   PHYSICAL REVIEW B