Structures and spectra of gold nanoclusters and quantum dot molecules
Uzi Landman
The European Physical Journal D, 1999
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Assessment of exchange-correlation functionals for the calculation of dynamical properties of small clusters in time-dependent density functional theory
Maria Cristina Menziani, Francesco Muniz-miranda
The Journal of Chemical Physics, 2001
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First-principles calculations of electronic excitations in clusters
O. Pulci, Maurizia Palummo
International Journal of Quantum Chemistry, 2000
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Calculation of One- and Two-Photon Absorption Spectra of Thiolated Gold Nanoclusters using Time-Dependent Density Functional Theory
Kiet Nguyen
Journal of Chemical Theory and Computation, 2010
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Assessment of Exchange-Correlation Functionals in Reproducing the Structure and Optical Gap of Organic-Protected Gold Nanoclusters
Alfonso Pedone, Maria Cristina Menziani
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Theoretical study on the electronic spectrum of [ M ( CN ) 2 ] n − n (M=Au(I), Ag(I); n=1–3) complexes
Rodolfo Briones
J Mol Struc Theochem, 2006
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DFT Study of Ligand Binding to Small Gold Clusters
Satyender Goel
The Journal of Physical Chemistry Letters, 2010
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Theoretical study on the electronic spectrum of (M=Au(I), Ag(I); n=1–3) complexes
Rodolfo Briones
Journal of Molecular Structure: THEOCHEM, 2006
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Resolving the Multiple Emission Centers in Carbon Dots: From Fluorophore Molecular States to Aromatic Domain States and Carbon-Core States
Morteza Jamshidi
The Journal of Physical Chemistry Letters, 2018
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Computational Modelling of Gold Complexes using Density Functional Theory
Sima Mohammadnejad
Computational and Theoretical Chemistry, 2015
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Understanding the Reactivity Properties of Au n (6 ≤ n ≤ 13) Clusters Using Density Functional Theory Based Reactivity Descriptors
Himadri De
Journal of Physical Chemistry C, 2010
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Ligand Effects on Optical Properties of Small Gold Clusters: A TDDFT Study
Satyender Goel
The Journal of Physical Chemistry C, 2012
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Theoretical characterization of cyclic thiolated gold clusters
Michael Walter
Journal of the American …, 2006
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Electronic structure calculations for nanomolecular systems
Daniele Varsano, A. Rubio
2005
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A DFT study of electronic, vibrational and optical properties of gold clusters
amna Azam
Optical and Quantum Electronics, 2021
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Theoretical Models for the Optical Properties of Clusters and Nanostructures
J.a Alonso
1997
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Electronic state of gold in supported clusters
Alexey Pestryakov
The European Physical Journal D - Atomic, Molecular and Optical Physics, 2003
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The interaction of a gold atom with carbon nanohorn and carbon nanotube tips and their complexes with a CO molecule: A first principle calculation
Jumras Limtrakul
The European Physical Journal D, 2008
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Assessment of the basis set effect on the structural and electronic properties of organic-protected gold nanoclusters
Maria Cristina MENZIANI
Theoretical Chemistry Accounts, 2016
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Quantum-chemical modeling of interaction between gold nanoclusters and thiols
Iole Venditti
2010
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First-principles calculations of circular dichroism of ligand-protected gold nanoparticles
Cecilia Noguez
The European Physical Journal D, 2009
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Computer modelling studies of gold nanoclusters, nanotubes and nanowires
Abram Mahladisa
2011
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Ligand-protected gold nanoclusters probed by IRMPD spectroscopy and quantum chemistry calculations
Nicolas Nieuwjaer
Journal of Molecular Spectroscopy, 2021
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Dynamics of weak interactions in the ligand layer of meta-mercaptobenzoic acid protected gold nanoclusters Au68(m-MBA)32 and Au144(m-MBA)40
Nisha Mammen
Nanoscale, 2020
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High-order determinantal equation-of-motion coupled-cluster calculations for electronic excited states
So Hirata
2000
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Theoretical Studies of Structural, Energetic, and Electronic Properties of Clusters
Valeri Grigoryan
Zeitschrift für Physikalische Chemie, 2008
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Electronic structure of spherical quantum dots using coupled cluster method
Dilip Kanhere
The Journal of Chemical Physics, 2007
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Induced phosphorescence from Pt → Ag and Ag(i)⋯Ag(i) metallophilic interactions in benzenedithiolatodiimine-Pt2/Ag2 clusters: a combined experimental and theoretical investigation
Alessandra Degli Esposti
Dalton Transactions, 2016
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Coupled-cluster approach in electronic structure theory of molecules
Viliam Laurinc
Physics Reports, 1982
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Benchmark Assessment of Density Functional Methods on Group II–VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots
Mikel Azpiroz
Journal of Chemical Theory and Computation, 2014
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Large‐scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene
Trygve Helgaker
The Journal of chemical …, 1996
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First-principles approach to the calculation of electronic spectra in clusters
Lucia Reining
Computational Materials Science, 1998
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13-atom metallic clusters studied by density functional theory: Dependence on exchange-correlation approximations and pseudopotentials
Jyh-Pin Chou
Physical Review B, 2009
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Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems
Dage Sundholm
The Journal of Chemical Physics, 2011
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Methanol Adsorption and Oxidation on Gold, Platinum and Gold-Platinum Bimetallic Clusters: A Case Study on Au 6 , Pt 6 and Au 3 Pt 3 Clusters Using Density Functional Theory
Payam Scientific
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