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Physics and Chemistry of Finite Systems: From Clusters to Crystals
Double Zeta Basis Sets in Carbon Cluster Calculations
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Author(s):
David W. Ewing
,
Isaiah Shavitt
Publication date
(Print):
1992
Publisher:
Springer Netherlands
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EU NanoSafety Cluster Publications: Journal Articles
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
Thom Dunning
(1989)
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Structure, stability, and fragmentation of small carbon clusters
Krishnan Raghavachari
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J. S. Binkley
(1987)
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The effect of d-functions on molecular orbital energies for hydrocarbons
J.A. Pople
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P.C. Hariharan
(1972)
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Book Chapter
Publication date (Print):
1992
Pages
: 561-567
DOI:
10.1007/978-94-017-2645-0_72
SO-VID:
2f5e18a7-1224-425a-873e-fc8a1dfd0e1e
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Book chapters
pp. 1
Clusters as a Key to the Understanding of Properties as a Function of Size and Dimensionality
pp. 19
Atomic Structure of Clusters through Chemical Reactions
pp. 29
Structure of Decagonal Quasicrystals
pp. 39
Atomic Structure of Quasicrystals with and without Phason Defects
pp. 49
Structure of Quasi Crystals in Terms of Atomic Clusters
pp. 61
STM Studies of Clusters
pp. 71
Structure and Transformation. Clusters as Models for Condensed Phases
pp. 77
Structure Model of the Al-Cu-Co Decagonal Quasicrystal
pp. 85
Infrared Spectroscopy of SF6 Attached to Classical and Quantum Clusters (finite size particles attaining bulk-like properties)
pp. 93
Morphology and Structure of Ultrafine Gold Particles
pp. 99
Magic Numbers of Bimetallic Cluster Ions Consisting of Group-III Metals: The Icosahedric 13 Atom Clusters
pp. 105
Significant Structure Theory of Molecular Clusters
pp. 111
On the Origin of the Dendritic Shapes in Goethite Particles
pp. 119
Structural Fluctuation of Au55 and Au147 Clusters
pp. 125
A Face Centered Icosahedral Approximant Phase with Local Icosahedral Symmetry
pp. 131
Defect-Fcc Structural Models for Argon Clusters ArN, N ≳ 500
pp. 139
Beyond the Icosahedral Glass Model, the Interpenetrating Pseudo — Icosahedral Clusters (IPIC) Model
pp. 147
The Geometric Shell Structure of Metal Clusters
pp. 157
Electronic Shell Structure in Icosahedral Metal Clusters
pp. 165
Evolutionary Patterns of Structure and Stability of Clusters
pp. 177
Chemistry of Stable Quasi-Crystals
pp. 189
Structure and Evolution of Nano- and Microcrystalline Grain Aggregates
pp. 199
Defects in Quasicrystals
pp. 211
A Computational Quantum Mechanical Study on Weakly Bonded Clusters of NH3 with SO2 and HNC
pp. 217
Structural Instability by Phason Softening in Icosahedral Quasicrystals
pp. 223
Positive and Negative Helium Cluster Ions Formed From Supercritical Expansions
pp. 229
Electronic Structure and Reactivity of Bimetallic Clusters Containing Sodium Atoms
pp. 235
Metal Clusters: How Many Atoms are Required for Thermionic Emission ?
pp. 241
Structural and Electronic Properties of Neutral and Charged Mgn Clusters (n ≤ 13 and n = 57, 69)
pp. 249
Intrinsic Stability of Quasicrystals under the Generation of Frenkel Defects
pp. 259
Determination of the Spin State for Carbon Clusters: Focusing Effect by Hexapole Magnetic Field
pp. 265
Cluster Relative-Stability Interchanges
pp. 271
Formation of Clusters in Charge Seeded Expansions of Rare Gas Mixtures
pp. 277
Phase Changes for Clusters and for Bulk Matter
pp. 287
Quantum Molecular Dynamics of Clusters
pp. 299
Random Cluster Model for Icosahedral Phase AlMnSi
pp. 309
Size-Dependent Thermodynamic and Electronic Properties of Individual Nanometer-Size Supported Gold Clusters
pp. 323
Inelastic Neutron Scattering from Single Grains of Icosahedral and Cubic Al-Li-Cu
pp. 333
Structural and Electronic Properties of Pure and Doped Fullerenes
pp. 339
Vibrational and Electronic Contributions to the Specific Heat of Pd561Phen36O200
pp. 345
Vibrational States of Al Adsorbed on Ge Clusters
pp. 351
From Clusters to Liquids: Diffusion, Stokes-Einstein Behavior, and Solvation in Mixed Molecule-Rare Gas Clusters
pp. 357
Proton Spin Relaxation and Thermal History Effects in Organic Molecular Solids
pp. 363
A Molecular Dynamics Study of the Solid Phase Transition in Sulphur Hexafluoride Clusters
pp. 369
Observation of Electronic Shells in Large Lithium Clusters
pp. 375
Structure and Dynamics of Intermediate Size Aluminium Clusters
pp. 381
Molecular Dynamics Studies of the Melting and Freezing of CCl4 Clusters
pp. 387
Melting and Solidification of Ultrafine Particles Investigated by Optical and Electron Microscopy Techniques
pp. 393
Monte Carlo Studies of Phase Transitions in Clusters of Tellurium Hexafluoride and Benzene
pp. 399
Vapor Phase Homogeneous Nucleation of Polar Molecules
pp. 405
Melting of Nickel Clusters
pp. 411
Phase Changes in Nickel Clusters from an Embedded-Atom Potential
pp. 417
Structure and Dynamics of Argon Cluster Ions
pp. 423
Molecular Dynamics Simulation of Infrequent Events: Evaporation from Cold Metallic Clusters
pp. 429
Computer Simulation of Dynamics of Metal Cluster Impact with Crystal Surface
pp. 435
Space/Time spectroscopic Analysis of Laser Vaporization Process from Si Target under Gas Environment
pp. 441
Structural Transition from Small Clusters to Bulk-like Structures
pp. 447
Dynamics of the Cluster-Surface Interaction: Collisional Detachment of Size Selected Carbon Negative Cluster Ions
pp. 453
On the Spectra, Structure and Dynamics of Aniline-ARn Clusters: Simulation Studies Compared with the Results of R2P2CI Spectroscopy
pp. 459
Computer Simulation Study of the Evaporation Mechanisms in Lennard-Jones Clusters
pp. 465
Monte-Carlo Geometry Optimization of Sodium Clusters with a Distance-Dependent Monoelectronic Hamiltonian
pp. 471
Investigation of the Stable Structures of Nix Fex, Nix−yPy, Nix−yBy, Fex−yPy, and Fex−yBy (x =13,y<13) Microclusters
pp. 479
Computer Simulation of Freezing and Melting in Transition Metal Clusters
pp. 485
Superconductivity in M3C60
pp. 493
Photoelectron Spectroscopy of Alkali Metal Cluster Anions
pp. 509
Electronic Mechanism for Stability of Quasicrystals
pp. 519
Superconductivity in Granular Films
pp. 527
Mössbauer Studies of Quasicrystals
pp. 537
Small Metal Particles Studied by NMR
pp. 549
Shape and Size Dependence of Energy Level Degeneracies
pp. 555
Measurements of Lithium Clusters Ionization Potentials
pp. 561
Double Zeta Basis Sets in Carbon Cluster Calculations
pp. 569
Electronic Structure of Deposited Mass-Selected Pt Clusters on Silver Films
pp. 575
Homonuclear Metallic Microclusters: Structure and Energetics
pp. 581
Ionization Energies of Large Sodium Clusters: Direct Evidence for Atomic Shell Structure
pp. 587
Structural and Electronic Properties of Icosahedral Quasicrystals
pp. 593
Hartree-Fock Investigations of Pure Antimony and Alkali-Antimony Clusters
pp. 599
Electronic Structures of Metal Clusters on Surface
pp. 605
A Study of Quantum Monte Carlo Simulation for the Hydrogen Cluster Ions
pp. 611
A Molecular Orbital Calculation Method Considering Crystal Fields
pp. 617
Cluster Resonances and Bound States and Crystal Band Spectrum
pp. 623
Calculation of the Electronic Structure and Magnetic Properties of Iron Microclusters
pp. 629
Ionization Potentials of Fe Microclusters
pp. 633
Measurement of Ionization Potentials for Aln and Fen Clusters
pp. 639
On the Structures and Stabilities of Small Mixed Clusters
pp. 645
A Hartree-Fock Study of Small Carbon Cluster Anions
pp. 651
Electronic Structure and Adduct Geometries in the Chemisorption of Nitric Oxide in Small Gas-Phase Cobalt Clusters
pp. 657
Stability, Ionization Potential and Electronic Affinity of Small Silver Clusters calculated in the LSD approximation
pp. 663
Stability of Hydrogen Clusters Near a Transition Metal Surface
pp. 669
Theoretical Investigation of Locations of 19F* and Nuclear Quadrupole Interactions in Silicon and Diamond
pp. 677
Simulation of Ionic Crystals for Electronic Properties Using the Hartree-Fock Cluster Procedure
pp. 683
The Electronic Structure of Icosahedral Boron Clusters
pp. 691
Investigation by the Gutzwiller Approach of the 3He and 4He Liquid Clusters
pp. 697
A Preliminary Study of Energy Bands of 2D Periodic Quantum Dot Arrays
pp. 703
Compound Versus Pure Metal Microclusters: How the Photoabsorption Profiles Relate to the Abundance Spectra
pp. 709
Magnetism of Finite Systems: From Clusters to Crystals
pp. 721
Magnetism of Free Transition Metal and Rare Earth Clusters
pp. 733
Band Structure Effects and Magnetism in Quasicrystals
pp. 743
Magnetism of Small Particles
pp. 753
Size Dependence of the Electronic and Magnetic Properties of Ultra-Small Chromium and Vanadium Particles Studied Using Synchrotron Radiation
pp. 759
Magnetic Properties of Free Metal Clusters
pp. 767
Onset of Magnetism in Bcc-Like Fe n Clusters
pp. 773
Theory for the Magnetization of an Ensemble of Transition Metal Clusters
pp. 779
Diamagnetic Susceptibility and Conductivity of Columnar Structures
pp. 785
Superparamagnetism in Ising Clusters
pp. 793
Magnetic Nanoparticles in a Metallo-Organic Polymer: Magnetic Properties and Structural and Chemical Characterization
pp. 799
Magnetism in Small Antiferromagnetic Clusters
pp. 807
Size Effects in Orbital Magnetism
pp. 813
Size and Shape Dependence of Small Spin Lattices Described by an Ising Hamiltonian
pp. 819
Transport Properties and Electronic Structure of Quasicrystals
pp. 829
Electronic Distributions of Quasicrystalline Phases
pp. 839
Metal Cluster Molecules: From Molecule to Metal
pp. 853
Collective Optical Excitation in Free Metal Clusters
pp. 861
A First Principles Investigation of Aluminum Clusters: Geometries, Reactivities, Stabilities and Polarizabilities
pp. 867
Optical Properties of Macroscopic Many-Cluster Matter
pp. 881
Dipole Resonance Systematics in Metal Particles and Atomic Nuclei
pp. 887
Observation of a Spin-Forbidden Optical Transition of Mo2 in a Molybdenum Cluster Beam
pp. 893
Surface Plasmon Absorption in Cesium Cluster Ions (Csn +, n=4−21)
pp. 899
Quantum Chemical Investigation of Absorption Spectra of Small Alkali Metal Clusters; Molecular Dimensionality Transition (2D–3D)
pp. 907
Raman Studies of Nanocrystalline AIO(OH) Prepared by Sol-Gel Techniques
pp. 913
Surface Induced Ionization of Water Clusters
pp. 919
Charge Separation Reactions of Doubly Charged Xe Clusters
pp. 925
Photoionization of Solvated Cs Atoms
pp. 931
Linear and Nonlinear Optical Properties of CuCl-Nanocrystallites: Evolution from Cluster-Like to Bulk-Like Behavior
pp. 937
Dipole Excitations of Closed-Shell Alkali-Metal Clusters
pp. 943
Optical Spectroscopy of Argon Cluster Ions
pp. 949
Observation of Cluster Specific Excitations in Rare Gas Clusters
pp. 957
Inelastic Collisions of Electrons with Small Metal Clusters
pp. 963
A “Giant Resonance” in Iron: Atom-Clusters-Crystal
pp. 969
Spectroscopy of Mass-Selected Zirconium Dimers in Argon
pp. 977
Phase Transitions and Coalescence Phenomena in Bi Clusters
pp. 983
Role of Self-Interaction Corrections in the Photoabsorption Cross Section of Small Metal Clusters
pp. 989
Nonlinear Optical Transmission of Nanometric Gold Colloids and Its Dependence on Particle Size
pp. 995
Dependence of the Plasmon Frequency of Cluster Embedded in a Matrix Versus the Cluster Size
pp. 1001
Collective Excitations in Silver Cluster Ions
pp. 1007
195Pt NMR of Pt309Phen 36 * O30 Metallic Clusters
pp. 1013
Observation of Wave Localization in Penrose Lattices
pp. 1019
Photoelectron Spectroscopy of Weakly-Bound Electrons in Sodium Chloride Cluster Anions
pp. 1025
The Unique Nature of Metal Cluster Oxidation
pp. 1039
Energetics of Atomic and Cluster Processes on Surfaces
pp. 1047
The D2+Ni13 Reaction: Mode-Specific and Structure-Specific Features
pp. 1057
Charge Transfer Involving Clusters
pp. 1065
Interaction of Clusters with Substrates
pp. 1071
Detection and Characterization of Silver Particles in Sodium Silicate Glasses by Means of High Resolution Electron Microscopy
pp. 1077
Reactions and Thermochemistry of Mixed Cluster Ions
pp. 1083
Ionic Polymerization Within Van der Waals Clusters
pp. 1089
Metastable Fragmentation of Rare Gas Cluster Ions Initiated by Excimer Decay
pp. 1095
Electronic States and H-Adsorption of Co and Co-V Microclusters
pp. 1101
Chemistry within Van Der Waals Clusters of Unsaturated Molecules: Observation of Cationic Polymerization
pp. 1109
Pulsed Laser Ablation and Cluster Ion Formation from Group VI Elements S, Se, Te, and Mixtures with Ni and Cu
pp. 1115
Clusterdeposition and Clustererosion
pp. 1121
Magic Numbers of Sodium/Antimony-Clusters Produced by Gas Aggregation and Subsequent Photoionization
pp. 1125
Collision-Induced Reactions of Molecular Cluster Ions
pp. 1131
Formation and Reactivity of Silicon Carbide Cluster Cations
pp. 1137
Encagement of Alkali Metal Ions in Gas-Phase Water Clusters
pp. 1141
Deposition of Lead Clusters on Cold Silver and Photoemission by Synchrotron Radiation
pp. 1147
Intracluster Anionic Polymerization of (CH2=CXCN)m (X = H, D, CH3, and Cl) in collision with high-Rydberg rare gas atoms and electrons
pp. 1153
Formation of Negative Cluster Ions by Electron Capture
pp. 1159
Scanning Tunneling Microscopy Study of the Interaction between Adsorbed Clusters and Graphite Substrates
pp. 1165
Magic Numbers of Metal and Metal Alloy Clusters and their Chemical Reactivity
pp. 1171
Scanning Tunneling Microscopy of Tris-(1,10-Phenanthroline) Ruthenium (II) Chloride on Graphite, Copper and Gallium Arsenide
pp. 1177
Cluster Quantum-Chemical Study of Dihydrogen, Methane and Water Molecules: Interactions with Pure and Lithium Doped Magnesium Oxide
pp. 1183
Nanostructure Fabrication Using Biomolecular Templates
pp. 1193
Film Deposition with Cluster Beams: An Alternate Path to Epitaxial, Crystalline Films
pp. 1203
Application of Ultra Fine Particles
pp. 1213
Fullerene and Fulleride Films
pp. 1221
Nanocrystalline and Icosahedral Amorphous RF Sputtered CrNi(65:35) Thin Films
pp. 1227
Composite Clusters by Laser Vaporization
pp. 1233
High Intensity Silver Cluster Beams
pp. 1239
Optical Characteristics of Cu-Nanocluster Layers Assembled by Ion Implantation
pp. 1245
The Structure and Properties of Nano-Size Crystalline Silicon Films
pp. 1251
Fivefold Multiply-Twinned Crystallites in Vapour-Deposited Amorphous Thin Films of Germanium Studied by HREM
pp. 1257
Dispersion of Ultrafine Nickel Particles on Alumina Films and Their Behaviour in Oxygen and Hydrogen Atmospheres
pp. 1263
Metallization of Si(111) by Lead Cluster Deposition
pp. 1269
Crystalline Nanometer-Scale III–V Clusters
pp. 1275
Incandescent Radiation from 3500 K Hot Clusters
pp. 1281
Nano-Structure Fabrication by Organic MBE Using Metalloid Porphyrins and Phthalocyanines Containing III, IV and V Elements
pp. 1287
X-Ray Study of Alkoxide-Derived Amorphous TiO2 Powder
pp. 1295
Isomerization and Icosahedral Fullerenes
pp. 1305
Formation of Muonium and A Muonic Radical in Fullerene
pp. 1311
Magnetic Susceptibility of Pristine C60 and K-Doped C60, and Heat Capacity of Solid C60
pp. 1317
Photoemission Spectra of C60 Clusters in Metal and Nonmetal Systems
pp. 1323
Electronic Structure of Fullerenes: Isolated Molecules and Metal-Doped Crystals
pp. 1329
C60 Rotational Dynamics in the Solid State
pp. 1335
Ab-Initio Molecular Dynamics Simulation of C60
pp. 1341
Radial Distribution Function Studies of the Structure of C60
pp. 1347
Relative Energetics of C44 Fullerene Isomers
pp. 1353
Molecular-Dynamics Simulations of C60/He Collisions
pp. 1359
Formation and Characterization of C60He+
pp. 1365
Electron Microscopy, Electron Energy Loss and X-Ray Emission Spectroscopy of Solid C60 and C70
pp. 1371
Superconductivity in Alkali Intercalated C60
pp. 1379
Extraction and Characterization of Large All-Carbon Fullerenes
pp. 1385
Carbon K-Edge XANES and EXAFS of C60, C70, and K3C60
pp. 1391
Tight-Binding Molecular Dynamics Study of C60 and Other Carbon Clusters
pp. 1397
Virtual Symmetric Charge Transfer Superconducting Pairing Excitations in C60
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