相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。From Small Fullerenes to the Graphene Limit: A Harmonic Force-Field Method for Fullerenes and a Comparison to Density Functional Calculations for Goldberg-Coxeter Fullerenes up to C980
Lukas N. Wirz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster
Yuxiang Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Behaviour of 'free-standing' hollow Au nanocages at finite temperatures: a BOMD study
Krati Joshi et al.
MOLECULAR PHYSICS (2015)
An alternative methodology to assess the quality of empirical potentials for small gold clusters
Luis A. Mancera et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2015)
The topology of fullerenes
Peter Schwerdtfeger et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2015)
Structure and Properties of the Nonface-Spiral Fullerenes T-C-380, D-3-C-384, D-3-C-440, and D-3-C-672 and Their Halma and Leapfrog Transforms
Lukas N. Wirz et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
A series of quasi-icosahedral gold fullerene cages: Structures and stability
Hua Ning et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2014)
Growth Mechanism of Gold Nanorods
Kyoungweon Park et al.
CHEMISTRY OF MATERIALS (2013)
House of Graphs: A database of interesting graphs
Gunnar Brinkmann et al.
DISCRETE APPLIED MATHEMATICS (2013)
Program fullerenea software package for constructing and analyzing structures of regular fullerenes
Peter Schwerdtfeger et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (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)
Structure and Stability of Zn, Cd, and Hg Atom Doped Golden Fullerene (Au32)
Debashree Manna et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Golden Endohedral Main-Group Clusters, [E@Au12]q-: Theoretical Insights Into the 20-e Principle
Alvaro Munoz-Castro
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Endohedrally doping the gold cage Au16- with an trivalent atom B, Al, Ga, and In: Density functional studies
Chunmei Tang et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)
Direct Comparison of Kinetic and Thermodynamic Influences on Gold Nanomorphology
Amanda S. Barnard
ACCOUNTS OF CHEMICAL RESEARCH (2012)
Relativistic Effects in Chemistry: More Common Than You Thought
Pekka Pyykko
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
A first principle investigation on the thermal stability of a golden fullerene: A case study of Au32
Himadri Sekhar De et al.
CATALYSIS TODAY (2012)
Nano-Gold Catalysis in Fine Chemical Synthesis
Yan Zhang et al.
CHEMICAL REVIEWS (2012)
Structure and Surface Chemistry of Gold-Based Model Catalysts
Jinlong Gong
CHEMICAL REVIEWS (2012)
Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis
Mao-Sheng Miao et al.
INORGANIC CHEMISTRY (2012)
Probing the electronic properties and structural evolution of anionic gold clusters in the gas phase
Lei-Ming Wang et al.
NANOSCALE (2012)
Stabilized gold clusters: from isolation toward controlled synthesis
Prasenjit Maity et al.
NANOSCALE (2012)
Structural evolution of Aun (n=29-35) clusters: A transition from hollow cage to amorphous packing
Dongxu Tian et al.
COMPUTATIONAL MATERIALS SCIENCE (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Structures and Energetics of Silver and Gold Nanoparticles
Boyang Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Observation of earlier two-to-three dimensional structural transition in gold cluster anions by isoelectronic substitution: MAun- (n=8-11; M=Ag,Cu)
Lei-Ming Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Structures of neutral and anionic Au16 clusters revisited
Gang Chen et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Structural evolution of Aun (n=20-32) clusters: Lowest-lying structures and relativistic effects
Hui-Yan Zhao et al.
PHYSICS LETTERS A (2010)
Determining the size-dependent structure of ligand-free gold-cluster ions
Detlef Schooss et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2010)
Modelling of nanoparticles: approaches to morphology and evolution
A. S. Barnard
REPORTS ON PROGRESS IN PHYSICS (2010)
A systematic search for minimum structures of small gold clusters Aun (n=2-20) and their electronic properties
Behnam Assadollahzadeh et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Structure determination of gold clusters by trapped ion electron diffraction: Au-14(-)-Au-19(-)
Anne Lechtken et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Relativistic effects and the unique low-symmetry structures of gold nanoclusters
Wei Huang et al.
ACS NANO (2008)
Icosahedral Au-72: a predicted chiral and spherically aromatic golden fullerene
Antti J. Karttunen et al.
CHEMICAL COMMUNICATIONS (2008)
Atomic and electronic structure of gold clusters:: understanding flakes, cages and superatoms from simple concepts
Hannu Hakkinen
CHEMICAL SOCIETY REVIEWS (2008)
Structures of MAu16- (M=Ag, Li, Na, and K):: How far is the endohedral doping?
Wei Fa et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Low-symmetry structures of Au32Z (Z =+1, 0,-1) clusters
Abraham F. Jalbout et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Exploring the Stability of Golden Fullerenes
Mikael P. Johansson et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
2D-3D transition of gold cluster anions resolved
Mikael P. Johansson et al.
PHYSICAL REVIEW A (2008)
Structures of neutral Au7, Au19, and Au20 clusters in the gas phase
Philipp Gruene et al.
SCIENCE (2008)
Doping the golden cage AU16- with Si, Ge, and Sn
Lei-Ming Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
New generation of gold catalysts: Nanoporous foams and tubes-is unsupported gold catalytically active?
Masatake Haruta
CHEMPHYSCHEM (2007)
Doping golden buckyballs: Cu@Au-16(-) and Cu@Au-17(-) cluster anions
Lei-Ming Wang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Gold catalysts: Towards sustainable chemistry
Tamao Ishida et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Evidence of hollow golden cages
Satya Bulusu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Possible ground-state structure of Au26:: A highly symmetric tubelike cage -: art. no. 114310
W Fa et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Cagelike Au32 detected in relativistic density-functional calculations of optical spectroscopy
W Fa et al.
PHYSICAL REVIEW B (2006)
Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculations
Eva M. Fernandez et al.
PHYSICAL REVIEW B (2006)
Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinty
Y Gao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Bulk fragment and tubelike structures of AuN (N=2-26) -: art. no. 205428
W Fa et al.
PHYSICAL REVIEW B (2005)
Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
KA Peterson et al.
THEORETICAL CHEMISTRY ACCOUNTS (2005)
Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac-Hartree-Fock data
D Figgen et al.
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)
Experimental and theoretical investigation of the electronic and geometrical structures of the Au-32 cluster
M Ji et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Icosahedral gold cage clusters:: M@Au12- (M = V, Nb, and Ta)
HJ Zhai et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Properties of WAu12
J Autschbach et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Theoretical chemistry of gold
P Pyykko
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
Au-32: A 24-carat golden fullerene
MP Johansson et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
AuN clusters (N=32,33,34,35):: Cagelike structures of pure metal atoms -: art. no. 205401
X Gu et al.
PHYSICAL REVIEW B (2004)
Gold goes nano - From small clusters to low-dimensional assemblies
P Schwerdtfeger
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
Formation of an icosahedral structure during the freezing of gold nanoclusters: Surface-induced mechanism
HS Nam et al.
PHYSICAL REVIEW LETTERS (2002)
Bonding in Cu, Ag, and Au clusters:: Relativistic effects, trends, and surprises -: art. no. 033401
H Häkkinen et al.
PHYSICAL REVIEW LETTERS (2002)
Dependence of relativistic effects on electronic configuration in the neutral atoms of d- and f-block elements
J Autschbach et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
Experimental observation and confirmation of icosahedral W@Au-12 and Mo@Au-12 molecules
X Li et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2002)
Relativistic effects in properties of gold
P Schwerdtfeger
HETEROATOM CHEMISTRY (2002)
Synthesis and characterization of helical multi-shell gold nanowires
Y Kondo et al.
SCIENCE (2000)
Gold clusters (AuN, 2≤N≤10) and their anions
H Häkkinen et al.
PHYSICAL REVIEW B (2000)
分享论文
