Hannu Häkkinen
#86,042
Most Influential Person Now
Finnish professor of computational nanoscience , academy professor
Hannu Häkkinen's Degrees
- PhD Physics University of Jyväskylä
Why Is Hannu Häkkinen Influential?
(Suggest an Edit or Addition)According to Wikipedia, Hannu Häkkinen is a Finnish physicist and professor of computational nanoscience at the University of Jyväskylä. Education and career Hannu Häkkinen studied physics at the University of Jyväskylä and received his master's degree in 1988. He earned his doctorate in 1991. Emil Aaltonen Foundation granted him the Young Researcher Award from his doctoral dissertation .
Hannu Häkkinen's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method (2010) (1609)
- The gold-sulfur interface at the nanoscale. (2012) (1339)
- A unified view of ligand-protected gold clusters as superatom complexes (2008) (1231)
- Charging Effects on Bonding and Catalyzed Oxidation of CO on Au8 Clusters on MgO (2005) (1180)
- When Gold Is Not Noble: Nanoscale Gold Catalysts (1999) (1127)
- On the structure of thiolate-protected Au25. (2008) (584)
- All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures (2013) (552)
- Self-passivating edge reconstructions of graphene. (2008) (530)
- On the Electronic and Atomic Structures of Small AuN- (N = 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study (2003) (504)
- Atomic and electronic structure of gold clusters: understanding flakes, cages and superatoms from simple concepts. (2008) (502)
- Bonding in Cu, Ag, and Au clusters: relativistic effects, trends, and surprises. (2002) (490)
- Structural, electronic, and impurity-doping effects in nanoscale chemistry: supported gold nanoclusters. (2003) (457)
- Chirality and electronic structure of the thiolate-protected Au38 nanocluster. (2010) (367)
- Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60 (2009) (358)
- Divide and protect: capping gold nanoclusters with molecular gold-thiolate rings. (2006) (342)
- Catalytic CO oxidation by free Au2-: experiment and theory. (2003) (325)
- Interaction of O2 with Gold Clusters: Molecular and Dissociative Adsorption (2003) (306)
- A critical size for emergence of nonbulk electronic and geometric structures in dodecanethiolate-protected Au clusters. (2015) (290)
- Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters. (2010) (274)
- Electron microscopy of gold nanoparticles at atomic resolution (2014) (241)
- Atomically Precise Alkynyl-Protected Metal Nanoclusters as a Model Catalyst: Observation of Promoting Effect of Surface Ligands on Catalysis by Metal Nanoparticles. (2016) (233)
- Birth of the localized surface plasmon resonance in monolayer-protected gold nanoclusters. (2013) (219)
- Single crystal XRD structure and theoretical analysis of the chiral Au30S(S-t-Bu)18 cluster. (2014) (214)
- N-heterocyclic carbene-functionalized magic-number gold nanoclusters (2018) (201)
- Symmetry and electronic structure of noble-metal nanoparticles and the role of relativity. (2004) (193)
- Plasmonic twinned silver nanoparticles with molecular precision (2016) (185)
- Gas-phase catalytic oxidation of CO by Au(2-). (2001) (183)
- Size-dependent structural evolution and chemical reactivity of gold clusters. (2007) (178)
- Structural and theoretical basis for ligand exchange on thiolate monolayer protected gold nanoclusters. (2012) (176)
- Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) Clusters. (2015) (170)
- Structure and magnetism of neutral and anionic palladium clusters. (2001) (167)
- Time-dependent density-functional theory in the projector augmented-wave method. (2008) (166)
- Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions (2011) (159)
- Electronic Structure of PassivatedAu38(SCH3)24Nanocrystal (1999) (145)
- COI oxidation on a single Pd atom supported on magnesia. (2001) (144)
- An intermetallic Au24Ag20 superatom nanocluster stabilized by labile ligands. (2015) (137)
- Asymmetric Synthesis of Chiral Bimetallic [Ag28Cu12(SR)24]4- Nanoclusters via Ion Pairing. (2016) (135)
- Ligand-stabilized Au13Cu(x) (x = 2, 4, 8) bimetallic nanoclusters: ligand engineering to control the exposure of metal sites. (2013) (131)
- Structural evolution of atomically precise thiolated bimetallic [Au(12+n)Cu₃₂(SR)(30+n)]⁴⁻ (n = 0, 2, 4, 6) nanoclusters. (2014) (128)
- Structural, chemical, and dynamical trends in graphene grain boundaries (2010) (124)
- [Ag67(SPhMe2)32(PPh3)8]3+: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster. (2016) (123)
- Supported magnetic nanoclusters: soft landing of Pd clusters on a MgO surface. (2002) (116)
- Chiral phase transfer and enantioenrichment of thiolate-protected Au₁₀₂ clusters. (2014) (108)
- Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes. (2019) (105)
- Quantum well states in two-dimensional gold clusters on MgO thin films. (2008) (104)
- Au40(SR)24 cluster as a chiral dimer of 8-electron superatoms: structure and optical properties. (2012) (104)
- Gold−Thiolate Complexes Form a Unique c(4 × 2) Structure on Au(111) (2008) (103)
- Ionization potential of aluminum clusters (1998) (101)
- Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals† (2010) (96)
- Effects of Silver Doping on the Geometric and Electronic Structure and Optical Absorption Spectra of the Au25–nAgn(SH)18– (n = 1, 2, 4, 6, 8, 10, 12) Bimetallic Nanoclusters (2012) (95)
- Theoretical characterization of cyclic thiolated gold clusters. (2006) (94)
- Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40]3+ (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles. (2017) (87)
- Site-specific targeting of enterovirus capsid by functionalized monodisperse gold nanoclusters (2014) (87)
- A density functional investigation of thiolate-protected bimetal PdAu(24)(SR)(18)(z) clusters: doping the superatom complex. (2009) (83)
- Atomistic Simulations of Functional Au144(SR)60 Gold Nanoparticles in Aqueous Environment (2012) (83)
- Supramolecular functionalization and concomitant enhancement in properties of Au(25) clusters. (2014) (80)
- Electronic and vibrational signatures of the Au102(p-MBA)44 cluster. (2011) (79)
- Conformation and dynamics of the ligand shell of a water-soluble Au102 nanoparticle (2016) (78)
- A hollow tetrahedral cage of hexadecagold dianion provides a robust backbone for a tuneable sub-nanometer oxidation and reduction agent via endohedral doping. (2006) (77)
- Highly Robust but Surface-Active: N-Heterocyclic Carbene-Stabilized Au25 Nanocluster. (2019) (77)
- Cationic Au Nanoparticle Binding with Plasma Membrane-like Lipid Bilayers: Potential Mechanism for Spontaneous Permeation to Cells Revealed by Atomistic Simulations (2014) (75)
- Co-crystallization of atomically precise metal nanoparticles driven by magic atomic and electronic shells (2018) (75)
- Trapping of 27 bp–8 kbp DNA and immobilization of thiol-modified DNA using dielectrophoresis (2006) (74)
- Carbon dioxide activation and reaction induced by electron transfer at an oxide-metal interface. (2015) (73)
- Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. (2017) (72)
- Atomically Precise, Thiolated Copper–Hydride Nanoclusters as Single-Site Hydrogenation Catalysts for Ketones in Mild Conditions (2019) (70)
- Magic triangular and tetrahedral clusters (1997) (70)
- Jahn–Teller effects in Au25(SR)18† †Electronic supplementary information (ESI) available: The supplemental information contains additional details about the syntheses and characterization of these compounds. It includes SQUID magnetometry, electrochemical methods, X-ray crystallography information, (2015) (66)
- Molecular-dynamics study of mechanical properties of copper (1998) (65)
- Protected metal clusters : from fundamentals to applications (2015) (63)
- Density-functional based tight-binding study of small gold clusters (2006) (63)
- Molecule-like photodynamics of Au102(pMBA)44 nanocluster. (2015) (63)
- Template-Free Supracolloidal Self-Assembly of Atomically Precise Gold Nanoclusters: From 2D Colloidal Crystals to Spherical Capsids. (2016) (62)
- Charging of atoms, clusters, and molecules on metal-supported oxides: A general and long-ranged phenomenon (2008) (61)
- Connections Between Theory and Experiment for Gold and Silver Nanoclusters. (2018) (60)
- Au Adsorption on Regular and Defected Thin MgO(100) Films Supported by Mo (2007) (59)
- Polymerization at the alkylthiolate-Au(111) interface. (2007) (58)
- Experimental and Density Functional Theory Analysis of Serial Introductions of Electron-Withdrawing Ligands into the Ligand Shell of a Thiolate-Protected Au25 Nanoparticle (2010) (58)
- Characterizing low-coordinated atoms at the periphery of MgO-supported Au islands using scanning tunneling microscopy and electronic structure calculations (2010) (58)
- From Symmetry Breaking to Unraveling the Origin of the Chirality of Ligated Au13 Cu2 Nanoclusters. (2018) (57)
- Ag44(SeR)30: A Hollow Cage Silver Cluster with Selenolate Protection. (2013) (56)
- A Unified AMBER-Compatible Molecular Mechanics Force Field for Thiolate-Protected Gold Nanoclusters. (2016) (55)
- Thermal effects in the photoelectron spectra ofNaN−clusters(N=4–19) (2003) (55)
- MOLECULAR-DYNAMICS STUDY OF COPPER WITH DEFECTS UNDER STRAIN (1998) (54)
- Liquid-liquid phase coexistence in gold clusters: 2D or not 2D? (2007) (54)
- Oxidation of magnesia-supported Pd-clusters leads to the ultimate limit of epitaxy with a catalytic function (2006) (54)
- ALD Grown Aluminum Oxide Submonolayers in Dye-Sensitized Solar Cells: The Effect on Interfacial Electron Transfer and Performance (2011) (54)
- Adsorption of small Au clusters on MgO and MgO/Mo: the role of oxygen vacancies and the Mo-support (2007) (53)
- Melting and Octupole Deformation of Na 40 (1998) (52)
- Ag11(SG)7: A New Cluster Identified by Mass Spectrometry and Optical Spectroscopy (2014) (51)
- Chiral Inversion of Thiolate-Protected Gold Nanoclusters via Core Reconstruction without Breaking a Au–S Bond (2019) (50)
- Electronic structure and optical properties of the thiolate-protected Au28(SMe)20 cluster. (2013) (50)
- Hydrogen Welding and Hydrogen Switches in a Monatomic Gold Nanowire (2004) (50)
- Solvent-mediated assembly of atom-precise gold–silver nanoclusters to semiconducting one-dimensional materials (2020) (49)
- Experimental and Theoretical Determination of the Optical Gap of the Au144(SC2H4Ph)60 Cluster and the (Au/Ag)144(SC2H4Ph)60 Nanoalloys. (2012) (49)
- Nondestructive size determination of thiol-stabilized gold nanoclusters in solution by diffusion ordered NMR spectroscopy. (2013) (48)
- Cd12Ag32(SePh)36: Non-Noble Metal Doped Silver Nanoclusters. (2019) (47)
- Ultrafast Electronic Relaxation and Vibrational Cooling Dynamics of Au144(SC2H4Ph)60 Nanocluster Probed by Transient Mid-IR Spectroscopy (2014) (46)
- Structures and spectra of gold nanoclusters and quantum dot molecules (1999) (46)
- Theoretical Characterization of Cyclic Thiolated Copper, Silver, and Gold Clusters (2010) (46)
- Electronic structure of MgO-supported Au clusters: quantum dots probed by scanning tunneling microscopy. (2007) (44)
- Site Preference in Multimetallic Nanoclusters: Incorporation of Alkali Metal Ions or Copper Atoms into the Alkynyl-Protected Body-Centered Cubic Cluster [Au7 Ag8 (C≡Ct Bu)12 ]. (2016) (44)
- A 58-electron superatom-complex model for the magic phosphine-protected gold clusters (Schmid-gold, Nanogold®) of 1.4-nm dimension (2011) (42)
- Atomically Precise Nanocluster Assemblies Encapsulating Plasmonic Gold Nanorods. (2018) (42)
- Adsorption of gold clusters on metal-supported MgO: Correlation to electron affinity of gold (2007) (41)
- Thiol-stabilized atomically precise, superatomic silver nanoparticles for catalysing cycloisomerization of alkynyl amines (2018) (41)
- Evidence of superatom electronic shells in ligand-stabilized aluminum clusters. (2011) (40)
- Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au102(pMBA)44 Nanocluster (2016) (39)
- Dynamic Stabilization of the Ligand-Metal Interface in Atomically Precise Gold Nanoclusters Au68 and Au144 Protected by meta-Mercaptobenzoic Acid. (2017) (38)
- Reversible Supracolloidal Self-Assembly of Cobalt Nanoparticles to Hollow Capsids and Their Superstructures. (2017) (37)
- Density functional study of gold atoms and clusters on a graphite (0001) surface with defects (2006) (37)
- Oligomeric Gold−Thiolate Units Define the Properties of the Molecular Junction between Gold and Benzene Dithiols (2010) (37)
- Formation of gold(I) edge oxide at flat gold nanoclusters on an ultrathin MgO film under ambient conditions. (2010) (36)
- TDDFT Analysis of Optical Properties of Thiol Monolayer-Protected Gold and Intermetallic Silver–Gold Au144(SR)60 and Au84Ag60(SR)60 Clusters (2014) (36)
- Photoabsorption spectra of Na(+)(n) clusters: thermal line-broadening mechanisms. (2001) (36)
- The Al50Cp*12 Cluster – A 138‐Electron Closed Shell (L = 6) Superatom (2011) (35)
- Combinatorial Identification of Hydrides in a Ligated Ag40 Nanocluster with Non-compact Metal Core. (2019) (35)
- Vibrational Perturbations and Ligand-Layer Coupling in a Single Crystal of Au144(SC2H4Ph)60 Nanocluster. (2014) (35)
- An ab initio study of cluster-surface interaction: Na clusters on the NaCl(001) surface (1996) (35)
- Surface Coordination of Multiple Ligands Endows N-Heterocyclic Carbene-Stabilized Gold Nanoclusters with High Robustness and Surface Reactivity. (2020) (34)
- Nonlinear Optical Properties of Thiolate-Protected Gold Clusters: A Theoretical Survey of the First Hyperpolarizabilities (2015) (33)
- The redox chemistry of gold with high-valence doped calcium oxide. (2013) (33)
- Universal Shapes of Small Fermion Clusters (1997) (33)
- Role of the Central Gold Atom in Ligand-Protected Biicosahedral Au24 and Au25 Clusters (2013) (32)
- Covalently linked multimers of gold nanoclusters Au102(p-MBA)44 and Au∼250(p-MBA)n. (2016) (32)
- One-pot synthesis and characterization of subnanometre-size benzotriazolate protected copper clusters. (2012) (31)
- A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles (2019) (31)
- [Cu32(PET)24H8Cl2](PPh4)2: A Copper Hydride Nanocluster with a Bisquare Antiprismatic Core. (2020) (31)
- Pd1/MgO(100): a model system in nanocatalysis (2002) (31)
- Copper Induces a Core Plasmon in Intermetallic Au(144,145)-xCux(SR)60 Nanoclusters. (2015) (30)
- Electronic structure and optical properties of the intrinsically chiral 16-electron superatom complex [Au20(PP3)4](4+). (2014) (30)
- The Journal of Physical Chemistry C Virtual Special Issue on Metal Clusters, Nanoparticles, and the Physical Chemistry of Catalysis (2021) (30)
- Electronic shell structures in bare and protected metal nanoclusters (2016) (29)
- Studies of Excess Electrons in Sodium Chloride Clusters and of Excess Protons in Water Clusters (1995) (28)
- Mixed-Monolayer-Protected Au25 Clusters with Bulky Calix[4]arene Functionalities. (2014) (28)
- First-principles simulations of hydrogen peroxide formation catalyzed by small neutral gold clusters. (2009) (28)
- Towards Controlled Synthesis of Water-Soluble Gold Nanoclusters: Synthesis and Analysis (2019) (28)
- Divide and Protect: Passivating Cu(111) by Cu-(benzotriazole)2 (2012) (28)
- Monte Carlo Simulations of Au38(SCH3)24 Nanocluster Using Distance-Based Machine Learning Methods. (2020) (28)
- Adsorption and activation of O(2) at Au chains on MgO/Mo thin films. (2010) (27)
- 55-Atom clusters of silver and gold: Symmetry breaking by relativistic effects (2006) (27)
- Solvation chemistry of water-soluble thiol-protected gold nanocluster Au₁₀₂ from DOSY NMR spectroscopy and DFT calculations. (2014) (27)
- Protected but accessible: oxygen activation by a calixarene-stabilized undecagold cluster. (2013) (26)
- Atomic Layer Deposition of Aluminum Oxide on TiO2 and Its Impact on N3 Dye Adsorption from First Principles (2011) (26)
- Comparison of Raman spectra and vibrational density of states between graphene nanoribbons with different edges (2008) (26)
- Raman spectra of single-walled carbon nanotubes with vacancies (2008) (25)
- Positron States in Dislocations: Shallow and Deep Traps (1989) (25)
- Superatomic S(2) silver clusters stabilized by a thiolate-phosphine monolayer: insight into electronic and optical properties of Ag14(SC6H3F2)12(PPh3)8 and Ag16(SC6H3F2)14(DPPE)4. (2014) (25)
- Electron quantization in arbitrarily shaped gold islands on MgO thin films (2013) (25)
- Impacts of Copper Position on the Electronic Structure of [Au25-xCux(SH)18]− Nanoclusters (2015) (25)
- The Role of the Anchor Atom in the Ligand of the Monolayer-Protected Au25(XR)18– Nanocluster (2015) (24)
- Dynamic Diglyme-Mediated Self-Assembly of Gold Nanoclusters. (2015) (24)
- Symmetry breaking in ligand-protected gold clusters probed by nonlinear optics. (2016) (23)
- Photoelectron spectra from first principles: from the many-body to the single-particle picture (2008) (23)
- Modeling thiolate-protected gold clusters with density-functional tight-binding (2013) (22)
- Oxidation of small gas phase Pd clusters: A density functional study (2006) (21)
- Hydrophobic pocket targeting probes for enteroviruses. (2015) (21)
- N-Heterocyclic Carbene-Stabilized Hydrido Au24 Nanoclusters: Synthesis, Structure, and Electrocatalytic Reduction of CO2. (2022) (21)
- A DFT Study of Linear Gold-Thiolate Superclusters Absorbing in the Therapeutic NIR Window. (2014) (20)
- A Homoleptic Alkynyl-Ligated [Au13Ag16L24]3- Cluster as a Catalytically Active Eight-Electron Superatom. (2020) (20)
- Energetics, structure and excess electrons in small sodium-chloride clusters (1995) (20)
- Au70S20(PPh3)12: an intermediate sized metalloid gold cluster stabilized by the Au4S4 ring motif and Au-PPh3 groups. (2018) (20)
- Theoretical Analysis of the M12Ag32(SR)404– and X@M12Ag32(SR)304– Nanoclusters (M = Au, Ag; X = H, Mn) (2015) (19)
- The effective-medium theory beyond the nearest-neighbour interaction (1989) (19)
- Optical and electronic properties of graphene nanoribbons upon adsorption of ligand-protected aluminum clusters. (2014) (19)
- Stability, electronic structure, and optical properties of protected gold-doped silver Ag29-xAux (x = 0-5) nanoclusters. (2017) (18)
- Atomically Precise Gold Nanoclusters: Towards an Optimal Biocompatible System from a Theoretical-Experimental Strategy. (2021) (18)
- Enhanced Surface Ligands Reactivity of Metal Clusters by Bulky Ligands for Controlling Optical and Chiral Properties. (2021) (18)
- Solvent driven formation of silver embedded resorcinarene nanorods (2012) (18)
- Surface reconstruction and many-atom models (1991) (18)
- Real-space imaging with pattern recognition of a ligand-protected Ag374 nanocluster at sub-molecular resolution (2018) (17)
- Characterization of iron-carbonyl-protected gold clusters. (2009) (17)
- A small spherical liquid: a DFT molecular dynamics study of WAu12. (2005) (17)
- Experimental Confirmation of a Topological Isomer of the Ubiquitous Au25(SR)18 Cluster in the Gas Phase (2021) (16)
- Patterning of supported gold monolayers via chemical lift-off lithography (2017) (16)
- Crystal Structures and Density Functional Theory Calculations of o- and p-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy (2013) (16)
- Structural characterization of site-modified nanocapsid with monodispersed gold clusters (2017) (15)
- Towards Atomically Precise Supported Catalysts from Monolayer‐Protected Clusters: The Critical Role of the Support (2020) (15)
- Photodynamics of a Molecular Water-Soluble Nanocluster Identified as Au130(pMBA)50 (2015) (15)
- Reversible Isomerization of Metal Nanoclusters Induced by Intermolecular Interaction (2021) (15)
- From Symmetry Breaking to Unraveling Chirality of Metal Nanoclusters (2018) (14)
- Melting and multipole deformation of sodium clusters (1999) (14)
- N-Heterocyclic Carbene-Stabilized Gold Nanoclusters with Organometallic Motifs for Promoting Catalysis. (2022) (14)
- Point Group Symmetry Analysis of the Electronic Structure of Bare and Protected Metal Nanocrystals (2018) (14)
- Metal clusters on an inert surface: a simple model (1997) (14)
- Electronic structure and thermal behavior of a magic Na{sub 59}{sup +} cluster (2004) (14)
- Gold Clusters " Au N , 2ïnï10… and Their Anions (2000) (14)
- Synthesis and Characterization of Enantiopure Chiral Bis NHC-Stabilized Edge-Shared Au10 Nanocluster with Unique Prolate Shape. (2022) (13)
- Ag44(EBT)26(TPP)4 Nanoclusters with Tailored Molecular and Electronic Structure. (2020) (13)
- Metallic clusters on an ionic surface (1996) (13)
- Role of Donor and Acceptor Substituents on the Nonlinear Optical Properties of Gold Nanoclusters (2018) (13)
- Derivatives of the thiolate-protected gold cluster Au25(SR)18-1 (2011) (13)
- The electronic structure of Ge9[Si(SiMe3)3]3-: a superantiatom complex. (2012) (13)
- Surface Chemistry Controls Magnetism in Cobalt Nanoclusters (2016) (12)
- Electron Binding in a Superatom with a Repulsive Coulomb Barrier: the Case of [Ag44(SC6H3F2)30]4- in Gas Phase. (2020) (12)
- Analysis of Localized Surface Plasmon Resonances in Spherical Jellium Clusters and Their Assemblies (2017) (12)
- Prospects and challenges for computer simulations of monolayer-protected metal clusters (2021) (11)
- Role of Nanocrystal Symmetry in the Crossover Region from Molecular to Metallic Gold Nanoparticles (2019) (11)
- Metallization of the Na14Cl13 Cluster (1994) (11)
- Temperature-dependent ionization potential of sodium clusters (2000) (11)
- Exploring the atomic structure of 1.8nm monolayer-protected gold clusters with aberration-corrected STEM. (2017) (10)
- Analysis of the Electronic Structure of Non-Spherical Ligand-Protected Metal Nanoclusters : The Case of a Box-Like Ag67 (2017) (10)
- Tertiary Chiral Nanostructures from C-H∙∙∙F Directed Assembly of Chiroptical Superatoms. (2021) (10)
- [Pt2Cu34(PET)22Cl4]2-: An Atomically Precise, 10-Electron PtCu Bimetal Nanocluster with a Direct Pt-Pt Bond. (2021) (10)
- Force fluctuations and localized states at point contacts (1998) (9)
- Computational study of linear carbon chains on gold and silver surfaces (2012) (9)
- Ligand-Protected Gold Nanoclusters as Superatoms—Insights from Theory and Computations (2012) (9)
- Solubility-Driven Isolation of a Metastable Nonagold Cluster with Body-Centered Cubic Structure. (2020) (9)
- Charge Transfer Plasmons in Dimeric Electron Clusters (2020) (8)
- Ab initio molecular dynamics studies of Au38(SR)24 isomers under heating (2019) (8)
- Symmetry-induced long-lived excited state in Au 6 − (2007) (8)
- A topological isomer of the Au25(SR)18- nanocluster. (2020) (8)
- Theoretical Studies of Gold Nanoclusters in Various Chemical Environments: When the Size Matters (2012) (7)
- Photo-Induced Cluster-to-Cluster Transformation of [Au37-xAgx(PPh3)13Cl10]3+ into [Au25-yAgy(PPh3)10Cl8]+: Fragmentation of a Trimer of 8-Electron Superatoms by Light. (2021) (7)
- How many gold atoms make gold metal (2015) (7)
- Ionization potential of Al6 and Al7 as a function of temperature (1999) (7)
- Protected metallic clusters, quantum wells and metal-nanocrystal molecules (2010) (7)
- Silver Sulfide Nanoclusters and the Superatom Model (2015) (7)
- Electronic Structure: Shell Structure and the Superatom Concept (2015) (7)
- Copper-hydride nanoclusters with enhanced stability by N-heterocyclic carbenes (2021) (7)
- Density functional theory molecular dynamics study of the Au25(SR)18− cluster (2012) (7)
- Chiral footprint of the ligand layer in the all-alkynyl-protected gold nanocluster Au144(CCPhF)60. (2019) (6)
- Spin Hamiltonians for small Ni clusters (2000) (6)
- From the Huckel model to effective-medium theory (1991) (6)
- Exploring Strategies for Labeling Viruses with Gold Nanoclusters through Non-equilibrium Molecular Dynamics Simulations. (2017) (6)
- Electronic Structure of Passivated Au 38 s SCH 3 d 24 Nanocrystal (6)
- Chemical reactions on size-selected clusters on surfaces (2001) (6)
- Ab initio simulation of Na+59 and Na+93 (2006) (5)
- Surface Coordination of Multiple Ligands Endows N‐Heterocyclic Carbene‐Stabilized Gold Nanoclusters with High Robustness and Surface Reactivity (2020) (5)
- Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks (2015) (5)
- Photoionisation using Kohn-Sham wave functions (2005) (5)
- Atomically Precise Alkynyl- and Halide-Protected AuAg Nanoclusters Au78Ag66(C≡CPh)48Cl8 and Au74Ag60(C≡CPh)40Br12: The Ligation Effects of Halides. (2021) (5)
- Gold/Isophorone Interaction Driven by Keto/Enol Tautomerization (2016) (5)
- Regioselective hydrogenation of alkenes over atomically dispersed Pd sites on NHC-stabilized bimetallic nanoclusters (2022) (4)
- A Homoleptic Alkynyl‐Ligated [Au 13 Ag 16 L 24 ] 3− Cluster as a Catalytically Active Eight‐Electron Superatom (2020) (4)
- Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms (2021) (4)
- Ligand Ratio Plays a Critical Role in the Design of Optimal Multifunctional Gold Nanoclusters for Targeted Gastric Cancer Therapy (2021) (4)
- Ligand mediated evolution of size dependent magnetism in cobalt nanoclusters. (2018) (4)
- NHC-Stabilized Au10 Nanoclusters and Their Conversion to Au25 Nanoclusters (2022) (4)
- Synthesis and properties of an Au6 cluster supported by a mixed N-heterocyclic carbene-thiolate ligand. (2020) (4)
- Gold assisted oxygen dissociation on a molybdenum-doped CaO(001) surface (2016) (3)
- Isophorone on Au/MgO/Ag(001) : Physisorption with Electrostatic Site Selection (2017) (3)
- Universal shapes of fermion clusters in the local density approximation (1998) (3)
- Molecular Dynamics of Metals with Many-Atom Interactions (1990) (3)
- Supercrystal engineering of atomically precise gold nanoparticles promoted by surface dynamics (2022) (3)
- Dissociative adsorption of water on Au/MgO/Ag(001) from first principles calculations (2015) (3)
- Anomalous binding sequence of CO ligands to an anionic triplatinum carbonyl complex (2005) (3)
- Dynamics of weak interactions in the ligand layer of meta-mercaptobenzoic acid protected gold nanoclusters Au68(m-MBA)32 and Au144(m-MBA)40. (2020) (3)
- Atomic Structure and Positron States at Dislocation Loops in Al (1990) (3)
- Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution (2014) (3)
- Molecular dynamics study of disordering, roughening, and premelting of the Pb(110) surface (1996) (3)
- Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films (2018) (3)
- Selective Acrolein Hydrogenation over Ligand-Protected Gold Clusters: A Venus Flytrap Mechanism (2022) (2)
- N-heterocyclic carbene-stabilized Au13 superatom clusters (2018) (2)
- Cubic aromaticity in ligand-stabilized doped Au superatoms. (2021) (2)
- DISORDERING MECHANISMS OF THE CU(110) SURFACE (1994) (2)
- Ag 44 (EBT) 26 (TPP) 4 Nanoclusters With Tailored Molecular and Electronic Structure (2)
- Molecular Dynamics Study of Copper and Aluminium under Mechanical Strain (1998) (2)
- Magic clusters Na57- and Na59+ (2005) (2)
- Machine Learning for Predicting Chemical Potentials of Multifunctional Organic Compounds in Atmospherically Relevant Solutions (2022) (2)
- Nanoassembled Model Catalysts: Changing Efficiency and Selectivity Atom-by-Atom (2000) (1)
- A method for detecting vacancy diffusion in molecular dynamics (1992) (1)
- Disordering of the Pb (110) surface (1998) (1)
- Thermal effects in the photoelectron spectra of Na N À clusters „ N Ä 4 – 19 ... (2003) (1)
- Gold Nanoclusters: Atomically Precise Gold Nanoclusters: Towards an Optimal Biocompatible System from a Theoretical–Experimental Strategy (Small 27/2021) (2021) (1)
- Conductance through atomic point contacts between fcc(100) electrodes of gold (2008) (1)
- Linear Nuclei: A Density Functional Interpretation (1997) (1)
- Topology and structure of Au144(SRCOO-)60 from "Atomistic Simulations of Functional Au144(SR)60 Gold Nanoparticles in Aqueous Environment" (2012) (1)
- How different are mechanisms of chemical reactions on atoms and clusters compared to their bulk analogs (2001) (1)
- Molecular Dynamics Study of Disordering and Premelting of the Pb(110) Surface (1994) (1)
- Real-space imaging with pattern recognition of a ligand-protected Ag374 nanocluster at sub-molecular resolution (2018) (1)
- Orientation Adaptive Minimal Learning Machine for Directions of Atomic Forces (2021) (1)
- Structure and dynamics of CaO films: A computational study of an effect of external static electric field (2017) (1)
- Alkynyl-Protected Chiral Bimetallic Ag22Cu7 Superatom with Multiple Chirality Origins. (2022) (1)
- Tailoring the interaction between a gold nanocluster and a fluorescent dye by cluster size: creating a toolbox of range-adjustable pH sensors (2022) (1)
- Conductance through analytic constrictions (2008) (0)
- Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001) (2020) (0)
- Elastic Strains and Enhanced Critical Temperature in Copper-Oxide Superconductors (2016) (0)
- Power control in a cellular communication system and receiver (1995) (0)
- Isomer dynamics of the [Au6(NHC-S)4]2+ nanocluster. (2022) (0)
- Structural characterization of site-modified nanocapsid with monodispersed gold clusters (2017) (0)
- Density-Functional Study of Au$_{n}$$^{-}$ ($n=16-24$): Atomic and Electronic Structures and Interaction with O$_{2}$ (2006) (0)
- Co-crystallization of atomically precise metal nanoparticles driven by magic atomic and electronic shells (2018) (0)
- Synthesis and Characterization of a Monodentate N-Heterocyclic Carbene-Protected Au11-Nanocluster via Reduction with KC8 (2023) (0)
- Covalent and non-covalent coupling of a Au102 nanocluster with a fluorophore: energy transfer, quenching and intracellular pH sensing (2021) (0)
- Time-dependent density-functional theory in the projector augmented-wave method Year : 2008 Version : Final (2015) (0)
- Metal Cluster — Surface Interaction: Simple Models and Ab Initio Calculations (1999) (0)
- Molecular Dynamics Studies of Crack and Dislocation Propagation in Strained Copper (1998) (0)
- 1H NMR global diatropicity in copper hydride complexes. (2022) (0)
- Molecular Dynamics Study of Copper Under Strain (1998) (0)
- Author Correction: Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms (2022) (0)
- Solvent-mediated assembly of atom-precise gold–silver nanoclusters to semiconducting one-dimensional materials (2020) (0)
- Knowledge Discovery from Atomic Structures using Feature Importances (2023) (0)
- Trends and surprises in bonding in anionic clusters of coinage metals (2002) (0)
- A method for packet-switched data transmission in a mobile communication system (1998) (0)
- Cd₁₂Ag₃₂(SePh)₃₆: Non-Noble Metal Doped Silver Nanoclusters (2019) (0)
- Catalysis in Finland : an exciting pathway (2013) (0)
- Electronic structure effects of a palladium impurity in a thiolate protected gold cluster. (2008) (0)
- Ab Initio Simulation of Clusters: Relativistic Effects in Structure and Bonding of Noble Metal Nanoparticles (2005) (0)
- Au102(p-MBA)44 nanocluster, a superatom suitable for bio-applications (2016) (0)
- Cover Feature: Towards Atomically Precise Supported Catalysts from Monolayer‐Protected Clusters: The Critical Role of the Support (Chem. Eur. J. 31/2020) (2020) (0)
- Enhanced Surface Ligands Reactivity of Metal Clusters by Bulky Ligands for Controlling Optical and Chiral Properties (2021) (0)
- MODELING THE ATOMIC AND ELECTRONIC STRUCTURE OF NANOPARTICLE-LIGAND INTERFACES (2013) (0)
- John von Neumann Institute for Computing Density Functional Modeling of Magnesia Supported Pd Clusters : On the Road to an Understanding of Nanoscale Catalysis (2008) (0)
- Ab initio Simulation of Clusters: Modeling the Deposition Dynamics and the Catalytic Properties of PdN on MgO Surface F -Centers (2003) (0)
- University of Birmingham Exploring the atomic structure of 1.8 nm monolayer- protected gold clusters with aberration-corrected STEM (2016) (0)
- Temperature-dependent ionization potential of sodium clusters (2000) (0)
- Atomistic Simulations of Functional Gold Nanoparticles Au144(Sr)60 Interacting with Membranes (2013) (0)
- Density functional theory molecular dynamics study of the Au25(SR)18− cluster (2012) (0)
- Analysis of the plasmonic excitations in assemblies of three-dimensional electron clusters (2020) (0)
- Planar Reconstructions of Graphene Edges (2008) (0)
- Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms (2021) (0)
- Preface to the Special Issue “ISSPIC XVIII: International Symposium on Small Particles and Inorganic Clusters 2016” (2017) (0)
- Method transmit and receive radiocumunicaciones system. (1997) (0)
- Hydrogen in Mono-Atomic Gold Wires (2004) (0)
- Understanding ligand-protected noble metal nanoclusters at work (2023) (0)
- Probing the Atomic-Scale Structure of Monolayer-Protected Au38 Clusters (2010) (0)
- Modeling thiolate-protected gold clusters with density-functional tight-binding (2013) (0)
- Atomically Precise Noble Metals in the Nanoscale, Stabilized by Ligands (2021) (0)
- Ab initio molecular dynamics studies of Au38(SR)24 isomers under heating (2019) (0)
- Optimizing the SYBR green related cyanine dye structure to aim for brighter nucleic acid visualization (2022) (0)
- Force fluctuations at point contacts. (1998) (0)
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