Effect of External Electric Field on H-Bonding and π-Stacking Interactions in Guanine Aggregates

Electric Field Effects on the Adsorption of CO on a Graphene Nanodot and the Healing Mechanism of a Vacancy in a Graphene Nanodot

(2012) Hongguang Liu et al.   Journal of Physical Chemistry C

On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field

(2012) Mausumi Chattopadhyaya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A molecular bowl sumanene

(2011) Toru Amaya et al.   CHEMICAL COMMUNICATIONS

Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals

(2011) Lori A. Burns et al.   JOURNAL OF CHEMICAL PHYSICS

Nucleic Acid G-quartets: Insights into Diverse Patterns and Optical Properties

(2011) A.K. Jissy et al.   Journal of Physical Chemistry C

Targeting G-quadruplexes in gene promoters: a novel anticancer strategy?

(2011) Shankar Balasubramanian et al.   NATURE REVIEWS DRUG DISCOVERY

Molecular dynamics studies of the 3D structure and planar ligand binding of a quadruplex dimer

(2010) Ming-Hui Li et al.   JOURNAL OF MOLECULAR MODELING

New Insights into the Structures of Ligand−Quadruplex Complexes from Molecular Dynamics Simulations

(2010) Jin-Qiang Hou et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Designing Molecular Switches Based on DNA-Base Mispairing

(2010) A. K. Jissy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Toward DNA Conductivity: A Theoretical Perspective

(2010) Sairam S. Mallajosyula et al.   Journal of Physical Chemistry Letters

Electronic Structures of S-Doped Capped C-SWNT from First Principles Study

(2010) L. Wang et al.   Nanoscale Research Letters

The influence of orientations and external electric field on charge carrier mobilities in CuPc and F16CuPc films on highly ordered pyrolytic graphite and octane-1-thiol terminated Au(111) substrates

(2010) Shuang Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Human telomeric G-quadruplex: The current status of telomeric G-quadruplexes as therapeutic targets in human cancer

(2009) Stephen Neidle   FEBS Journal

Large carrier mobilities in octathio[8]circulene crystals: a theoretical study

(2009) Sasmita Mohakud et al.   JOURNAL OF MATERIALS CHEMISTRY

Porphyrin Intercalation in G4-DNA Quadruplexes by Molecular Dynamics Simulations

(2009) Manuela Cavallari et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Stacking Interactions and DNA Intercalation

(2009) Shen Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Intrinsic Half-Metallicity in Modified Graphene Nanoribbons

(2009) Sudipta Dutta et al.   PHYSICAL REVIEW LETTERS

Heterocirculenes as a new class of organic semiconductors

(2008) Afshin Dadvand et al.   CHEMICAL COMMUNICATIONS

Molecular Electronics: Effect of External Electric Field

(2008) S. Lakshmi et al.   Journal of Physical Chemistry C

Modelling the effect of structure and base sequence on DNA molecular electronics

(2008) M M D Ramos et al.   NANOTECHNOLOGY

Nature and magnitude of aromatic stacking of nucleic acid bases

(2008) Jiří Šponer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS