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Phase stability of intermetallic compounds
ADVANCED ENGINEERING MATERIALS
Temperature and pressure dependencies of the crystal structure of the organic superconductor (TMTSF)(2)ClO4
EUROPEAN PHYSICAL JOURNAL B
Magnetic circular dichroism in the soft X-ray absorption spectra of intercalation compounds FexTiS2
PHYSICA E
(eta(5)-cyclopentadienyl)(kappa(3)-hydrotris(pyrazolyl)borate)cobalt(II) -the first high-spin cobalt organometallic complex
CHEMICAL COMMUNICATIONS
Synthesis, structure and optical properties of new lanthanide-based derivatives Ln(2)SbS(5)Br (Ln = La, Ce)
SOLID STATE SCIENCES
Charge transfer complexes between carbazole and lutetium bisphthalocyanine
NEW JOURNAL OF CHEMISTRY
New compounds with bridging dicyanamide and bis-chelating 2,2 '-bipyrimidine ligands: syntheses, structural characterisation and magnetic properties of the two-dimensional materials [Fe-2(dca)(4)(bpym)]center dot H2O and [Fe-2(dca)(4)(bpym)(H2O)(2)]
NEW JOURNAL OF CHEMISTRY
Density functional study of metal-arene compounds: Mono(benzene)chromium, bis(benzene)chromium and their cations
JOURNAL OF PHYSICAL CHEMISTRY A
The energetic stability of tori and single-wall tubes
FULLERENE SCIENCE AND TECHNOLOGY
Crystal structure of radical cation salt (BEDT-TTF)(4)(GaCl4)(2)center dotC6H5CH3
CRYSTALLOGRAPHY REPORTS
First-known high-nuclearity copper-nickel carbonyl cluster: [CuxNi35-x(CO)(40)](5-) (with x= 3 or 5) containing an unprecedented 35-atom three-layer hcp triangular stacking metal-core geometry
JOURNAL OF CLUSTER SCIENCE
Synthesis and electronic structures and linear optics of solid state compound SrB2O4
CHINESE JOURNAL OF CHEMISTRY
Synthesis and properties of novel donor-type metal-dithiolene complexes based on 5,6-dihydro-1,4-dioxine-2,3-dithiol (edo)
JOURNAL OF MATERIALS CHEMISTRY
A new molecular metal based on Pd(dmit)2: synthesis, structure and electrical properties of (C7H13NH)[Pd(dmit)(2)](2) (dmit(2-)=2-thioxo-1,3-dithiole-4,5-dithiolate)
JOURNAL OF MATERIALS CHEMISTRY
Density functional study of beryllium clusters, with gradient correction
JOURNAL OF PHYSICS-CONDENSED MATTER
A full-potential linear-muffin-tin-orbital molecular-dynamics study of B-7, B-10 and B-13 clusters
JOURNAL OF PHYSICS-CONDENSED MATTER
Well-aligned boron nanowire arrays
ADVANCED MATERIALS
Synthesis and structure of benzyl substituted derivatives of the dinickel triple-decker complex mu-eta(5)-eta(5)-(2,3-dihydro-1,3-diborolyl)-(eta(3)-allyl)(eta(4)-1,5-hexadiene) dinickel
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
Magnetic properties and electronic structures of RCo2-xSix (R=Gd, Y) compounds
JOURNAL OF ALLOYS AND COMPOUNDS
Scaling properties of the electronic structure of quasiperiodic GaAs/AlxGa1-xAs superwires and superdots
PHYSICA B
Theoretical synthesis of poly-(2-hydroxyethylmethacrylate) by uniform localization of molecular orbitals calculation
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
Transport and capacitance spectroscopy of quantum dots
ACTA PHYSICA POLONICA A
Studies on the band structures, the relationship of magnetism and distortion of CaNiN by density functional calculations
ACTA CHIMICA SINICA
Spin- and orbital-polarized states in alkali-metal-doped C-60
SYNTHETIC METALS
Optical and magneto-optical properties of Ni2MnGa alloy at room temperature
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
High-resolution valence band XPS studies of thin film Au-Al alloys
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
Photoemission spectroscopy of half-metallic perovskite manganites Pr1-xSrxMnO3
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
Electronic structures of electron-doped manganite: La0.7Ce0.3MnO3
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
Steric effects on the electronic and molecular structures of nickel(II) and cobalt(II) 2,6-dipyrazol-1-ylpyridine complexes
POLYHEDRON
Properties and structures of hetero-macrocyclic compounds with side substitute of halogen and trihalomethyl
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
Properties of a new magnetic material: Sr2FeMoO6
PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES
Comparison of spectrum-like representation of 3D chemical structure with other representations when used for modelling biological activity
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
Photoemission study of the ITO/triphenylene/perylene/Al interfaces
APPLIED SURFACE SCIENCE
Analytical potential energy functions of the neutral and cationic B-2
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
A study of the nucleophilic attack of the beta-lactamic bond of antibiotics in water solution
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Search for high magnetic moment recording head material: Manganese compounds - art. no. 214417
PHYSICAL REVIEW B
Effect of hydrogen on ground-state structures of small silicon clusters - art. no. 205406
PHYSICAL REVIEW B
Temperature-dependent self-doping effects on the metal-insulator transition of Tl2Ru2O7 - art. no. 165108
PHYSICAL REVIEW B
Charge ordering and antiferromagnetic exchange in layered molecular crystals of the theta type - art. no. 085109
PHYSICAL REVIEW B
Spin-resolved density of states at the surface of NiMnSb - art. no. 060403
PHYSICAL REVIEW B
Quantitative assessment of the vibronic coupling in C-60(-) via doping effects in Raman scattering experiments - art. no. 245414
PHYSICAL REVIEW B
Small polaron formation in dangling-bond wires on the Si(001) surface - art. no. 035310
PHYSICAL REVIEW B
Recent progress in atomic and chemical group effective potentials
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
New noncentrosymmetric selenogermanates. I. Crystal structures and chemical bonding of AM(2)GeSe(4) (A = Sr, Ba; M = Cu, Ag)
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
Methylated dihydropentafulvalenes and pentafulvalenides from tetramethylcyclopentadiene derivatives
SYNTHESIS-STUTTGART
Ultraviolet photoelectron spectroscopy of thin films of new materials for multilayer organic light emitting diodes
SURFACE SCIENCE
Initial oxidation states on Si(001) surface induced by translational kinetic energy of O-2 at room temperature studied by Si-2p core-level spectroscopy using synchrotron radiation
SURFACE SCIENCE
Desorption of SiO molecule from the Si(100) surface
SURFACE SCIENCE
Geometric and electronic properties of titanium clusters studied by ultrasoft pseudopotential
SOLID STATE COMMUNICATIONS
Quantum-chemical semiempirical and ab initio methods in the theory of fullerenes and nanotubes
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
Formation and vibrational structure of Si nano-clusters in ZnO matrix
REVISTA MEXICANA DE FISICA
Tight-binding band structures of nanographite multiribbons
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
Fermi surface of Bi(111) measured by photoemission spectroscopy - art. no.177602
PHYSICAL REVIEW LETTERS
Structure and magnetism of neutral and anionic palladium clusters
PHYSICAL REVIEW LETTERS
Origin of the broken conjugation in m-phenylene linked conjugated polymers
MACROMOLECULES
Back bonding without sigma-bonding: a unique pi-complex of dinitrogen withuranium
JOURNAL OF ORGANOMETALLIC CHEMISTRY
Molecular modeling of the olefin metathesis by tungsten(0) carbene complexes
JOURNAL OF ORGANOMETALLIC CHEMISTRY
UV photoelectron and ab initio study of intramolecular interactions in alpha-diethoxyphosphoryl carbonyl derivatives
JOURNAL OF ORGANOMETALLIC CHEMISTRY
The electronic structure and bonding in W-2(mu-H)(2)((OPr)-Pr-i)(4)(DMPE)(2) and a comparison with Mo-2((OPr)-Pr-i)(4)(DMPE)(2)
JOURNAL OF ORGANOMETALLIC CHEMISTRY
Monte Carlo simulation of defect formation in ZnSe/GaAs heterovalent epitaxy
JOURNAL OF CRYSTAL GROWTH
Thermodynamic investigation of the Si-7 and Si-8 clusters by Knudsen cell mass spectrometry
JOURNAL OF CHEMICAL PHYSICS
Configuration interaction study of singlet excited state of thiophene and its cyano derivative oligomers
JOURNAL OF CHEMICAL PHYSICS
A theoretical study of Si4H2 cluster with ab initio and density functionaltheory methods
JOURNAL OF CHEMICAL PHYSICS
Systematics of elasticity: Ab initio study in B1-type alkaline earth oxides
JOURNAL OF CHEMICAL PHYSICS
Quantum Monte Carlo characterization of small Cu-doped silicon clusters: CuSi4 and CuSi6
JOURNAL OF CHEMICAL PHYSICS
Water-saturated Si(100)-(2x1): Kinetic Monte Carlo simulations of thermal oxygen incorporation
JOURNAL OF APPLIED PHYSICS
Band alignment in organic devices: Photoemission studies of model oligomers on In2O3
JOURNAL OF APPLIED PHYSICS
Determination of energy barriers in organic light-emitting diodes by internal photoemission
JOURNAL OF APPLIED PHYSICS
Theoretical study of silicon-sulfur clusters (SiS2)(n)(-) (n=1-6)
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Preparation and structure of bis(mu-acetato)dichlorodicarbonyldiiridium(II) complexes with Group 15 ligands and ESR and density functional theory studies of electronic structure of their cationic radicals
INORGANICA CHIMICA ACTA
Electrochemical oxidation of [Cr(CO)(4)(tmp)] to the low-spin Cr(I) species [Cr(CO)(4)(tmp)](+) (tmp=3,4,7,8-tetramethyl-1,10-phenanthroline): an IR,UV-Vis, and EPR spectroelectrochemical and DFT computational study of the accompanying changes in molecular and electronic structure
INORGANICA CHIMICA ACTA
Syntheses and electronic structures of macrocyclic metal complexes with fullerene
INORGANICA CHIMICA ACTA
Rational synthesis of high nuclearity Mo/Fe/S clusters: The reductive coupling approach in the convenient synthesis of (Cl-4-cat)(2)Mo2Fe6S8(PR3)(6) [R = Et, Pr-n, Bu-n] and the new [(Cl-4-cat)(2)Mo2Fe2S3O(PEt3)(3)Cl]center dot 1/2(Fe(PEt3)(2)(MeCN)(4)) and (Cl-4-cat)(2)Mo2Fe3S5(PEt3)(5) clusters
INORGANIC CHEMISTRY
Nb9PdAs7: A unique arrangement in the (Mn+3n+2Xn+nY)-X-2-Y-2 family of hexagonal structures
INORGANIC CHEMISTRY
Structure and soft magnetic properties of Fe-N thin films
IEEE TRANSACTIONS ON MAGNETICS
Effect of pH on the structure of absorption spectra of highly protonated polyaniline analyzed by the Alentsev-Fock method
ELECTROCHIMICA ACTA
Photodissociation spectroscopy and dynamics of Si-4
CHEMICAL PHYSICS LETTERS
Crystal structure of a novel red copper protein from Nitrosomonas europaea
BIOCHEMISTRY
Photoelectron spectroscopy of hybrid interfaces for light emitting diodes:Influence of the substrate work function
APPLIED PHYSICS LETTERS
Electrochemical oxidation of Cp*Ru(eta(5)-C6H9O) under argon and oxygen atmospheres. Generation of [Cp*Ru(CH3CN)(3)]+PF6- and Cp*RuO2(eta(3)-C6H9O) complexes
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
On the cross-over from half-metal to normal ferromagnet in NiMnSb
EUROPEAN PHYSICAL JOURNAL B
Density functional study of possible intermediates in the mechanism of olefin cyclopropanation catalyzed by metal carboxylates
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Silole-thiophene alternating copolymers with narrow band gaps
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Extremely strong s(2)-s(2) closed-shell interactions
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Electronic structure and bonding in the platinum-silylene complex [PtSiH2]
INORGANIC CHEMISTRY COMMUNICATIONS
Modeling of the silicon (100) thermal oxidation: from quantum to macroscopic formulation
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
From molecules to organic crystals: The contribution of quantum chemistry
JOURNAL DE PHYSIQUE IV
Hybrid organic-inorganic molecular compounds: A crystal structure-electrical property relationship for alpha, theta and eta phases of (BEDT-TTF)(2)X
JOURNAL DE PHYSIQUE IV
Theoretical calculations of band gaps in the aromatic structures of polythieno[3,4-b]benzene and polythieno[3,4-b]pyrazine
JOURNAL OF PHYSICAL CHEMISTRY A
Insulator-superconductor-metal transitions induced by spin fluctuations inthe paramagnetic phase of doped insulators
JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS
Synthesis and properties of alternating polymers containing 2,6-diaryldithienosilole and organosilicon units
MACROMOLECULAR CHEMISTRY AND PHYSICS
A new route into single-crystalline partially oxidized cobalt compounds: Reactions with zintl-type hexaselenodistannate(III) K6Sn2Se6 as mild oxidant
CHEMISTRY-A EUROPEAN JOURNAL
Synthesis and reactivity of the Tl-I salts of [TCNE](center dot-) and [TCNE](2-): The structural determination of Tl-I[TCNE] and [TDAE][TCNE](2) and evidence for a chelated [TCNE](center dot-)
CHEMISTRY-A EUROPEAN JOURNAL
Donor slab robustness and band filling variations in BDT-TTP-based molecular conductors: beta-(BDT-TTP)(6)[Re6S6Cl8]center dot(CH2Cl-CHCl2)(2) and beta-(BDT-TTP)(6)[Mo6Cl14]center dot(CH2Cl-CHCl2)(2)
ADVANCED MATERIALS
First-principles calculations on the electronic structure of FeS
COMPUTATIONAL MATERIALS SCIENCE
Electronic effects of light impurities on edge dislocation motion in iron at T=0 K
JOURNAL OF ALLOYS AND COMPOUNDS
Theoretical studies on structures and stability of C-36 dimers
ACTA CHIMICA SINICA
Electronic structures of transition metal-C-60 coordination polymers (eta(6)-C-60)(n)M-n (M = Sc, Ti, V, or Cr)
SYNTHETIC METALS
Stable structures for Ge-10 cluster and comparative study with Si-10 cluster
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
Temperature evolution of the optical absorption edge in (NH3C2H5)(2)CuCl4 crystals
PHYSICA STATUS SOLIDI B-BASIC RESEARCH