Deciphering the dual emission in the photoluminescence of Au14Cd(SR)12: A theoretical study using TDDFT and TDDFT + TB

Unraveling the Impact of Gold(I)-Thiolate Motifs on the Aggregation-Induced Emission of Gold Nanoclusters

(2020) Zhennan Wu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Heterometal-Doped M23 (M = Au/Ag/Cd) Nanoclusters with Large Dipole Moments

(2020) Yingwei Li et al.   ACS Nano

Metal Nanoparticles Confronted with Foreign Ligands: Mere Ligand Exchange or Further Structural Transformation?

(2020) Nan Yan et al.   Small

Structural distortion and electron redistribution in dual-emitting gold nanoclusters

(2020) Qi Li et al.   Nature Communications

Tuning the photoluminescence of metal nanoclusters for selective detection of multiple heavy metal ions

(2020) Amit Nain et al.   SENSORS AND ACTUATORS B-CHEMICAL

Understanding the Effect of Doping on Energetics and Electronic Structure for Au25, Ag25, and Au38 Clusters

(2019) Fahri Alkan et al.   Journal of Physical Chemistry C

Golden Opportunity: A Clickable Azide-Functionalized [Au25(SR)18]− Nanocluster Platform for Interfacial Surface Modifications

(2019) Praveen N. Gunawardene et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lighting Up the Gold Nanoclusters via Host–Guest Recognition for High-Efficiency Antibacterial Performance and Imaging

(2019) Haishuang Zhu et al.   ACS Applied Materials & Interfaces

Metal Doping of Au25(SR)18– Clusters: Insights and Hindsights

(2019) Wenwen Fei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Alkynyl-Protected Au22(C≡CR)18 Clusters Featuring New Interfacial Motifs and R-Dependent Photoluminescence

(2019) Shun Ito et al.   Journal of Physical Chemistry Letters

Is it worthwhile to go beyond the local‐density approximation in subsystem density functional theory?

(2019) Stephanie A. Grimmel et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18–

(2018) Masanori Ebina et al.   Journal of Physical Chemistry C

Total Structure Determination of Au16(S-Adm)12 and Cd1Au14(StBu)12 and Implications for the Structure of Au15(SR)13

(2018) Sha Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping

(2017) Qi Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unexpected Thiols Triggering Photoluminescent Enhancement of Cytidine Stabilized Au Nanoclusters for Sensitive Assays of Glutathione Reductase and Its Inhibitors Screening

(2016) Hui Jiang et al.   ANALYTICAL CHEMISTRY

Tight-binding approximations to time-dependent density functional theory — A fast approach for the calculation of electronically excited states

(2016) Robert Rüger et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrabright Luminescence from Gold Nanoclusters: Rigidifying the Au(I)–Thiolate Shell

(2015) Kyunglim Pyo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

(2015) Jinfeng Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Identification of a Highly Luminescent Au22(SG)18 Nanocluster

(2014) Yong Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin–orbit coupling

(2014) K. Mori et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Scalable and Precise Synthesis of Thiolated Au10–12, Au15, Au18, and Au25 Nanoclusters via pH Controlled CO Reduction

(2013) Yong Yu et al.   CHEMISTRY OF MATERIALS

Structure of Au15(SR)13 and Its Implication for the Origin of the Nucleus in Thiolated Gold Nanoclusters

(2013) De-en Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Different sized luminescent gold nanoparticles

(2012) Jie Zheng et al.   Nanoscale

Luminescent bichromophoric spiroindolones – synthesis and electronic properties

(2011) Jan Schönhaber et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional

(2011) Sivan Refaely-Abramson et al.   PHYSICAL REVIEW B

Density functional theory and the band gap problem

(2010) John P. Perdew   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Density-functional expansion methods: Evaluation of LDA, GGA, and meta-GGA functionals and different integral approximations

(2010) Timothy J. Giese et al.   JOURNAL OF CHEMICAL PHYSICS

Time-dependent density functional theory gradients in the Amsterdam density functional package: geometry optimizations of spin-flip excitations

(2010) Michael Seth et al.   THEORETICAL CHEMISTRY ACCOUNTS

Effects of Core Distances, Solvent, Ligand, and Level of Theory on the TDDFT Optical Absorption Spectrum of the Thiolate-Protected Au25Nanoparticle

(2009) Christine M. Aikens   JOURNAL OF PHYSICAL CHEMISTRY A

A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells

(2009) Tangui Le Bahers et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ligand Exchange of Au25SG18 Leading to Functionalized Gold Clusters: Spectroscopy, Kinetics, and Luminescence

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