New insight into the structure of thiolated gold clusters: a structural prediction of the Au187(SR)68 cluster
Literature Information
The structure of the thiolated Au187 cluster has been elucidated by density functional theory calculations. The structural model comprises a Marks-decahedral Au153 core protected with 34 monomer motifs. The predicted structure accomplished in this study is in good agreement with the experimental X-ray diffraction pattern. It is noteworthy that the used methodology represents an advance in the prediction of the molecular structure of thiolated gold clusters constituted by hundreds of gold atoms.
Related Literature
Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation
Hongming Yin, Keli Han
DOI: 10.1039/C002270E
Adsorption from aqueous solutions on opened carbon nanotubes—organic compounds speed up delivery of water from inside
Artur P. Terzyk, Piotr A. Gauden, Sylwester Furmaniak, Radosław P. Wesołowski, Peter J. F. Harris, Piotr Kowalczyk
DOI: 10.1039/B916067A
Quantitative analysis of 2H NMRT1Q, T1Z and T2 relaxation times in the SmA phase of a liquid crystal dendrimer
Valentina Domenici
DOI: 10.1039/B902168J
Cyanide leaching of Au/CeO2: highly active gold clusters for 1,3-butadiene hydrogenation
Y. Guan, E. J. M. Hensen
DOI: 10.1039/B909487C
Chiral recognition of 2-(3-benzoylphenyl)propionic acid (ketoprofen) by serum albumin: an investigation with microcalorimetry, circular dichroism and molecular modelling
Sandra Monti, Stefano Ottani, Francesco Manoli, Ilse Manet, Francesco Scagnolari, Barbara Zambelli, Giancarlo Marconi
DOI: 10.1039/B906021A
Understanding underlying processes in formic acidfuelcells
Sunghyun Uhm, Hye Jin Lee
DOI: 10.1039/B909525J
An ellipsometry study of silicananoparticle layers at the water surface
Antonio Stocco, Dominique Langevin, Bingbo Wei, Bernard P. Binks
DOI: 10.1039/B907903C
Effects of the nature and charge of the topmost layer in layer by layer self assembled amperometric enzymeelectrodes
E. J. Calvo, V. Flexer, M. Tagliazucchi, P. Scodeller
DOI: 10.1039/C0CP00449A
Infrared spectroscopic studies of the heterogeneous reaction of ozone with dry maleic and fumaric acid aerosol particles
Juan J. Nájera, Carl J. Percival, Andrew B. Horn
DOI: 10.1039/B909623J
You might also like
How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?
Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...
How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?
N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...
What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?
The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...
How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?
Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...
What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?
2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...
What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?
1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...
Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?
Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...
What precautions should be taken when handling 1-((2R,3R,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione (CAS: 153631-19-7)?
Proper personal protective equipment (PPE) must be worn when handling this compo...
What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?
When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...
Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?
Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














