Related references
Note: Only part of the references are listed.Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and temperature
Bryan R. Goldsmith et al.
PHYSICAL REVIEW MATERIALS (2019)
The interaction of ethylene with free gold cluster cations: infrared photodissociation spectroscopy combined with electronic and vibrational structure calculations
Sandra M. Lang et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2018)
Effect of palladium doping on the stability and fragmentation patterns of cationic gold clusters
P. Ferrari et al.
PHYSICAL REVIEW A (2018)
Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform
Peter R. Nagy et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Molden 2.0: quantum chemistry meets proteins
Gijs Schaftenaar et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2017)
First-Principles Study of Alkoxides Adsorbed on Au(111) and Au(110) Surfaces: Assessing the Roles of Noncovalent Interactions and Molecular Structures in Catalysis
Fairoja Cheenicode Kabeer et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Probing the Interactions of O2 with Small Gold Cluster AunQ (n=2-10, Q=0,-1): A Neutral Chemisorbed Complex Au5O2 Cluster Predicted
Hong Xiao Shi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Gold Nanoclusters Promote Electrocatalytic Water Oxidation at the Nanocluster/CoSe2 Interface
Shuo Zhao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Controlling catalytic activity of gold cluster on MgO thin film for water splitting
Zijing Ding et al.
PHYSICAL REVIEW MATERIALS (2017)
Selective C-H Bond Cleavage in Methane by Small Gold Clusters
Sandra M. Lang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
Controlling the Adsorption of Carbon Monoxide on Platinum Clusters by Dopant-Induced Electronic Structure Modification
Piero Ferrari et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Interplay of theoretical calculations and experiments for a study of catalysis by gold
Mitsutaka Okumura et al.
CATALYSIS TODAY (2016)
Reactivity of Metal Clusters
Zhixun Luo et al.
CHEMICAL REVIEWS (2016)
Designing for selectivity: weak interactions and the competition for reactive sites on gold catalysts
C. G. F. Siler et al.
FARADAY DISCUSSIONS (2016)
DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters
Heider A. Hussein et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Designing for selectivity: weak interactions and the competition for reactive sites on gold catalysts
C. G. F. Siler et al.
FARADAY DISCUSSIONS (2016)
Doping Effects in Cluster-Mediated Bond Activation
Helmut Schwarz
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Adsorption of Propene on Neutral Gold Clusters in the Gas Phase
Ewald Janssens et al.
CHEMISTRY-A EUROPEAN JOURNAL (2015)
Gold Catalysis: A Reflection on Where We are Now
Simon J. Freakley et al.
CATALYSIS LETTERS (2015)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao et al.
MOLECULAR PHYSICS (2015)
Structures and Stabilities of the Metal Doped Gold Nano-Clusters: M@Au10 (M = W, Mo, Ru, Co)
Delwar Hossain et al.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2014)
At What Size Do Neutral Gold Clusters Turn Three-Dimensional?
Mikael P. Johansson et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold
Juan Carlos F. Rodriguez-Reyes et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
An efficient linear-scaling CCSD(T) method based on local natural orbitals
Zoltan Rolik et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
The Performance of Density Functional and WavefunctionBased Methods for 2D and 3D Structures of Au10
Daniel A. Goetz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Electronic structure analysis of small gold clusters Aum (m ≤ 16) by density functional theory
Giuseppe Zanti et al.
THEORETICAL CHEMISTRY ACCOUNTS (2013)
Effects of Ligands, Cluster Size, and Charge State in Gas-Phase Catalysis: A Happy Marriage of Experimental and Computational Studies
Maria Schlangen et al.
CATALYSIS LETTERS (2012)
Comparison of the performance of exact-exchange-based density functional methods
Fenglai Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Unraveling the Mechanisms of O2 Activation by Size-Selected Gold Clusters: Transition from Superoxo to Peroxo Chemisorption
Rhitankar Pal et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Experimental and Computational Investigation of Au25 Clusters and CO2: A Unique Interaction and Enhanced Electrocatalytic Activity
Douglas R. Kauffman et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Carbon monoxide adsorption on neutral and cationic vanadium doped gold clusters
Hai Thuy Le et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Cluster Structure and Reactions: Gaining Insights into Catalytic Processes
A. W. Castleman
CATALYSIS LETTERS (2011)
Carbon Monoxide Adsorption on Silver Doped Gold Clusters
Jorg De Haeck et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Cage Structure Formation of Singly Doped Aluminum Cluster Cations Al n TM + (TM = Ti, V, Cr)
Sandra M. Lang et al.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2011)
Theoretical study of CO adsorption on yttrium-doped gold clusters AunY (n=1-9)
Ling Lin et al.
CHEMICAL PHYSICS LETTERS (2010)
Far-Infrared Spectra of Yttrium-Doped Gold Clusters AunY (n=1-9)
Ling Lin et al.
CHEMPHYSCHEM (2010)
Adsorption of Ethylene on Neutral, Anionic, and Cationic Gold Clusters
Andrey Lyalin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters
Olga Lopez-Acevedo et al.
NATURE CHEMISTRY (2010)
The structure of Au6Y+ in the gas phase
Ling Lin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Selective Propene Epoxidation on Immobilized Au6-10 Clusters: The Effect of Hydrogen and Water on Activity and Selectivity
Sungsik Lee et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
DFT study of CO adsorption on neutral and charged Pdn(n=1-7) clusters
B. Kalita et al.
EUROPEAN PHYSICAL JOURNAL D (2009)
Binding Energies of O2 and CO to Small Gold, Silver, and Binary Silver-Gold Cluster Anions from Temperature Dependent Reaction Kinetics Measurements
Thorsten M. Bernhardt et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Localized-orbital locator (LOL) profiles of chemical bonding
Heiko Jacobsen
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE (2008)
Fluxionality and σ-Aromaticity in Small Yttrium-Doped Gold Clusters
Ling Lin et al.
CHEMPHYSCHEM (2008)
Binding energy and preferred adsorption sites of CO on gold and silver-gold cluster cations: Adsorption kinetics and quantum chemical calculations
Marco Neumaier et al.
FARADAY DISCUSSIONS (2008)
Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals
Rustarn Z. Khaliullin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Theoretical insights on O2 and CO adsorption on neutral and positively charged gold clusters
Antonio Prestianni et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
A post-Hartree-Fock model of intermolecular interactions
ER Johnson et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Exchange-hole dipole moment and the ospersion interaction
AD Becke et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Binding of propene on small gold clusters and on Au(111):: Simple rules for binding sites and relative binding energies
S Chrétien et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Density functional study of the adsorption of propene on mixed gold-silver clusters, AunAgm:: Propensity rules for binding
S Chrétien et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Oxidation catalysis by supported gold nano-clusters
TV Choudhary et al.
TOPICS IN CATALYSIS (2002)
Two functions of the density matrix and their relation to the chemical bond
HL Schmider et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
DFT studies of interaction between O2 and Au clusters.: The role of anionic surface Au atoms on Au clusters for catalyzed oxygenation
M Okumura et al.
CHEMICAL PHYSICS LETTERS (2001)
MassKinetics:: a theoretical model of mass spectra incorporating physical processes, reaction kinetics and mathematical descriptions
L Drahos et al.
JOURNAL OF MASS SPECTROMETRY (2001)
Chemical content of the kinetic energy density
HL Schmider et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2000)
Molden: a pre- and post-processing program for molecular and electronic structures
G Schaftenaar et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2000)