Theoretical and experimental studies of the interactions between Au2− and nucleobases

Aspects of bonding in small gold clusters

(2013) Xiao-Gen Xiong et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations

(2012) Guo-Jin Cao et al.   JOURNAL OF CHEMICAL PHYSICS

Range-Separated Exchange Functionals with Slater-Type Functions

(2012) Michael Seth et al.   Journal of Chemical Theory and Computation

Nature of the Interaction between Natural and Size-Expanded Guanine with Gold Clusters: A Density Functional Theory Study

(2012) Wenming Sun et al.   Journal of Physical Chemistry C

The electronic structure and chemical bonding in gold dihydride: AuH2− and AuH2

(2012) Hong-Tao Liu et al.   Chemical Science

Interaction of gold nanoclusters of different size with adenine: A density functional theory study of neutral, anionic and cationic forms of [adenine+(Au)n=3,6,9,12] complexes

(2012) Nidhi Vyas et al.   Computational and Theoretical Chemistry

Multiwfn: A multifunctional wavefunction analyzer

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

Non-conventional hydrogen bonds: pterins-metal anions

(2011) Rubicelia Vargas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Probing the electronic structure and chemical bonding of the “staple” motifs of thiolate gold nanoparticles: Au(SCH3)2− and Au2(SCH3)3−

(2011) Chuan-Gang Ning et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Definition of the hydrogen bond (IUPAC Recommendations 2011)

(2011) Elangannan Arunan et al.   PURE AND APPLIED CHEMISTRY

The mixed cyanide halide Au(i) complexes, [XAuCN]− (X = F, Cl, Br, and I): evolution from ionic to covalent bonding

(2011) Hong-Tao Liu et al.   Chemical Science

Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations

(2010) Hong-Guang Xu et al.   CHEMICAL PHYSICS LETTERS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

DFT Study on the Interactions Between Aun (n = 2 … 4) and Adenine

(2010) Gang Lv et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Photoelectron Imaging and Spectroscopy of MI2−(M = Cs, Cu, Au): Evolution from Ionic to Covalent Bonding†

(2010) Yi-Lei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Size Matters, but Is Being Planar of Any Relevance? Electron Donor−Acceptor Properties of Neutral Gold Clusters up to 20 Atoms

(2010) Ana Martínez   Journal of Physical Chemistry C

Covalent gold

(2010) Lai-Sheng Wang   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT study on the intermolecular interactions between Aun (n=2–4) and thymine

(2009) Gang Lv et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Adenine–Au and adenine–uracil–Au. Non-conventional hydrogen bonds of the anions and donator–acceptor properties of the neutrals

(2009) Job Valdespino-Saenz et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Do Anionic Gold Clusters Modify Conventional Hydrogen Bonds? The Interaction of Anionic Aun(n= 2−4) with the Adenine−Uracil Base Pair

(2009) Ana Martínez   JOURNAL OF PHYSICAL CHEMISTRY A

DFT Investigation of the Interaction of Gold Nanoclusters with Nucleic Acid Base Guanine and the Watson−Crick Guanine-Cytosine Base Pair

(2009) Manoj K. Shukla et al.   Journal of Physical Chemistry C

Where gold meets a hydrogen bond?

(2008) Eugene S. Kryachko   JOURNAL OF MOLECULAR STRUCTURE

Theoretical Study of Neutral, Anionic, and Cationic Uracil−Ag and Uracil−Au Systems:  Nonconventional Hydrogen Bonds

(2008) Job Valdespino-Saenz et al.   JOURNAL OF PHYSICAL CHEMISTRY A