Cu-wire-mediated dipyrimidine base pairs as the building blocks for  conductive and magnetic Cu–DNA  nanowires

Intensified effects of multi-Cu modification on the electronic properties of the modified base pairs containing hetero-ring-expanded pyrimidine bases

(2016) Nan Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Measurements of Single Nucleotide Electronic States as Nanoelectronic Fingerprints for Identification of DNA Nucleobases, Their Protonated and Unprotonated States, Isomers, and Tautomers

(2015) Josep Casamada Ribot et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Redox-Modulated Magnetic Transformations between Ferro- and Antiferromagnetism in Organic Systems: Rational Design of Magnetic Organic Molecular Switches

(2015) Fengying Zhang et al.   Journal of Physical Chemistry C

Density Functional Theory Calculations for the Structural, Electronic, and Magnetic Properties of (Gd2O3)n0,±1 Clusters with n = 1–10

(2015) Xiuli Xia et al.   Journal of Physical Chemistry C

n- and p-Type Doping Phenomenon by Artificial DNA and M-DNA on Two-Dimensional Transition Metal Dichalcogenides

(2014) Hyung-Youl Park et al.   ACS Nano

A Metal-Mediated Base Pair with a [2+1] Coordination Environment

(2014) Tim Richters et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Selective Synthesis of Cu2O and Cu/Cu2O NPs: Antifungal Activity to Yeast Saccharomyces cerevisiae and DNA Interaction

(2014) K. Giannousi et al.   INORGANIC CHEMISTRY

Crystal Structure Studies of RNA Duplexes Containing s2U:A and s2U:U Base Pairs

(2014) Jia Sheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Label-free luminescent oligonucleotide-based probes

(2013) Dik-Lung Ma et al.   CHEMICAL SOCIETY REVIEWS

Development of a Metal-Ion-Mediated Base Pair for Electron Transfer in DNA

(2013) Thomas Ehrenschwender et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical mechanism studies on the competitive CO-induced N–N bond cleavage of N2O with N–O bond cleavage mediated by (η5-C5Me5)Mo[N(iPr)C(Me)N(iPr)](CO)2

(2013) Nan Lu et al.   DALTON TRANSACTIONS

Efficient Synthesis of Uracil-Derived Hexa- and Tetrahydropyrido[2,3-d]pyrimidines

(2013) Nikita Tolstoluzhsky et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

(2013) Ciro A. Guido et al.   Journal of Chemical Theory and Computation

The geometry and electronic structure of Aristolochic acid: possible implications for a frozen resonance

(2013) Sergio Manzetti et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Thermodynamic contribution and nearest-neighbor parameters of pseudouridine-adenosine base pairs in oligoribonucleotides

(2013) G. A. Hudson et al.   RNA

Metal-Mediated DNA Base Pairing: Alternatives to Hydrogen-Bonded Watson–Crick Base Pairs

(2012) Yusuke Takezawa et al.   ACCOUNTS OF CHEMICAL RESEARCH

Improved definition of bond orders for correlated wave functions

(2012) I. Mayer   CHEMICAL PHYSICS LETTERS

Rational Design for Building Blocks of DNA-Based Conductive Nanowires through Multi-Copper Incorporation into Mismatched Base Pairs

(2012) Jing Zhao et al.   CHEMPHYSCHEM

Interactions of Metal Ions with DNA and Some Applications

(2012) Mohtashim Hassan Shamsi et al.   Journal of Inorganic and Organometallic Polymers and Materials

Radicalized DNA Bases through Ring-Expansion Modification: An Intriguing Class of Building Blocks for the Magnetic DNA Nanowires

(2012) Li Han et al.   Journal of Physical Chemistry C

Smooth and conductive DNA-templated Cu2O nanowires: growth morphology, spectroscopic and electrical characterization

(2012) Reda Hassanien et al.   NANOTECHNOLOGY

Binding of metal ions by pyrimidine base pairs in DNA duplexes

(2011) Akira Ono et al.   CHEMICAL SOCIETY REVIEWS

A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra

(2011) Abraham Alemayehu et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

A Qualitative Index of Spatial Extent in Charge-Transfer Excitations

(2011) Tangui Le Bahers et al.   Journal of Chemical Theory and Computation

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Silver(I)-mediated Hoogsteen-type base pairs

(2011) Dominik A. Megger et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Theoretical mechanistic study of TangPhos-catalyzed asymmetric γ addition of thiols to allenoates

(2011) Nan Lu et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Enantioselectivity in Organocatalytic Cascade Double Michael Addition Reaction: A Theoretical Study

(2011) Nan Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic Enhancement Effect of Copper Modification of Base Pairs on the Conductivity of DNA

(2011) Haiying Liu et al.   Journal of Physical Chemistry C

Multi-Copper-Mediated DNA Base Pairs Acting as Suitable Building Blocks for the DNA-Based Nanowires

(2011) Genqin Li et al.   Journal of Physical Chemistry C

DNA−CNT Nanowire Networks for DNA Detection

(2011) Yossi Weizmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational design of ring-expanded pyrimidine-based DNA motifs with improved conductivity

(2011) Li Han et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A New Twist on Spintronics

(2011) G. L. J. A. Rikken   SCIENCE

DNA-decorated graphene chemical sensors

(2010) Ye Lu et al.   APPLIED PHYSICS LETTERS

Conformational Tuning of Magnetic Interactions in Metal-DNA Complexes

(2009) Sairam S. Mallajosyula et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory

(2009) Lasse Jensen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hetero-Ring-Expansion Design for Adenine-Based DNA Motifs: Evidence from DFT Calculations and Molecular Dynamics Simulations

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

Control of Self-Assembly of DNA Tubules Through Integration of Gold Nanoparticles

(2009) J. Sharma et al.   SCIENCE

Relationship between calculated NMR data and intermolecular hydrogen bond properties in X-pyridine⋯HF

(2008) Ali Ebrahimi et al.   CHEMICAL PHYSICS

Methyloxy Substituted Heteroleptic Bis(phthalocyaninato) Yttrium Complexes: Density Functional Calculations

(2008) Yuexing Zhang et al.   CHEMPHYSCHEM

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Properties of Metal-Modified DNA Base Pairs

(2008) Giorgia Brancolini et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cu2+/+Cation Coordination to Adenine−Thymine Base Pair. Effects on Intermolecular Proton-Transfer Processes

(2008) Marc Noguera et al.   JOURNAL OF PHYSICAL CHEMISTRY B