Mackay, anti-Mackay, double-Mackay, pseudo-Mackay, and related icosahedral shell clusters

GIAO/DFT evaluation of C-13 NMR chemical shifts of selected acetals based on DFT optimized geometries

MOLECULAR-DYNAMICS COMPUTER-SIMULATION AS A TOOL FOR THE ANALYSIS OF SOLVATION - A STUDY OF DILUTE AQUEOUS-SOLUTIONS OF 1, 4-DIOXANE AND 1,3-DIOXANE

GENERATION, LOW-TEMPERATURE STABILIZATION, STRUCTURE AND REACTIVITY OF INTERMEDIATES WITH LOW-COORDINATED CARBON, SILICON AND GERMANIUM ATOMS

Molecular and electronic structure of C5H5N-SO3: Correlation of ground state physical properties with orbital energy gaps in partially bound Lewis acid-base complexes

Vibrational overtone spectroscopy of phenol and its deuterated isotopomers

THEORETICAL PREDICTION OF THE STRUCTURES AND STABILITIES OF AZIDAMINES

Bifurcated hydrogen bonding in 2-trifluoromethylphenol confirmed by gas electron diffraction

2, 3-dialkynyl-1,4-diazabuta-1,3-dienes as novel pi-systems: Synthesis, structure, and electronic properties

Chemical vapor deposition of gallium nitride from the GaCl3+NH3 system. Theoretical study of the structure and thermodynamics of potential intermediates formed in the gaseous phase

The proper place for hydrogen in the periodic table

Quantum chemical study of group 14 elements pentacoordinated derivatives - metallatranes

RELATIONS BETWEEN MEAN AMPLITUDES OF VIBRATION AND CORRESPONDING INTERNUCLEAR DISTANCES .1. BONDED AND NONBONDED CARBON-CARBON DISTANCES

STRUCTURE OF SULFOXIDE MOLECULES

THE SPECTROSCOPIC PROPERTIES AND X-RAY CRYSTAL-STRUCTURE OF A DISCRETE MOLECULAR ALANE, DIMETHYLAMIDOALANE, [ME2NALH2]3

Synthesis of 1, 3,5-tri-and 1,2,4,5-tetrasubstituted tin and mercury derivatives of benzene. Crystal structure of 1,3,5-tris(chloromercurio)benzene

Sulphur-containing saturated rings as structural fragments in liquid crystals

REPORT ON ACTIVITIES OF ELECTRON DIFFRACTION GROUP AT OSLO

MOLECULAR-STRUCTURES OF ALKALINE-EARTH-METAL METALLOCENES - ELECTRON-DIFFRACTION AND ABINITIO INVESTIGATIONS

Theoretical investigations on the structure of poly(iminomethylenes) with aliphatic side chains. Conformational studies and comparison with experimental spectroscopic data

Synthesis, structure, and ring conversion of 1, 2-dithiete and related compounds

Applications of pulsed-gradient spin-echo (PGSE) diffusion measurements in organometallic chemistry

Vibrational frequencies and structural determinations of trisilylamine

Systematic study of the tautomerism of uracil induced by proton transfer. Exploration of water stabilization and mutagenicity

DECADE OF SOVIET-HUNGARIAN COOPERATION IN FIELD OF ELECTRON-DIFFRACTION RESEARCH OF MOLECULAR-STRUCTURE .2.

ABINITIO CALCULATION OF POTENTIAL-ENERGY SURFACES AND SPECTROSCOPIC PROPERTIES OF H2S AND H3S+

COVALENT NATURE OF THE STRONG HOMONUCLEAR HYDROGEN-BOND - STUDY OF THE O-H---O SYSTEM BY CRYSTAL-STRUCTURE CORRELATION METHODS

Geometry, vibrational frequencies, and ionization energies of BeX2 (X = F, Cl, Br, and I)

Scaling factors for the prediction of vibrational spectra. II. The aniline molecule and several derivatives

THE RELATIONS BETWEEN THE VALENCE ANGLES OF SP3-HYBRIDIZED CENTRAL ATOMS FOR ALL POSSIBLE LOCAL SYMMETRIES

CONFORMATIONAL AND GEOMETRIC CHARACTERISTICS OF 1, 3-DIOXANES IN THE SOLID-STATE (ACCORDING TO X-RAY CRYSTALLOGRAPHIC DATA)

A DENSITY-FUNCTIONAL INVESTIGATION OF THE GEOMETRICAL AND ELECTRONIC-STRUCTURE OF THE SICLN AND SICLN-SERIES, N=1-5

Nature of the intramolecular Se center dot center dot center dot N nonbonded interaction of 2-selenobenzylamine derivatives. An experimental evaluation by H-1, Se-77, and N-15 NMR spectroscopy

Ab initio study of structure, protonation and complex formation of novel pyrazolone-5 derivatives

CHIH-DFT determination of the molecular structure and infrared and ultraviolet spectra of azathiophenes

SYNTHESIS AND C-13 NMR ANALYSIS OF A SERIES OF BRIDGEHEAD-SUBSTITUTED POLYCYCLOALKANES - C-13-LABELED METHYL AS THE SUBSTITUENT

THE MOLECULAR-STRUCTURE AND QUADRATIC FORCE-FIELD OF TETRAMETHYLBUTATRIENE (2, 5-DIMETHYL-2,3,4-HEXATRIENE) STUDIED BY GAS-PHASE ELECTRON-DIFFRACTION AND AB-INITIO MO CALCULATIONS, AND ADJUNCT AB-INITIO STUDIES OF BUTATRIENE

Preparation, X-ray crystal structure, and chemistry of stable azidoiodinanes - Derivatives of benziodoxole

Novel zwitterionic sulfides, selenides and tellurides [1]

CH center dot center dot center dot F hydrogen bonds. Dimers of fluoromethanes

CONFORMATIONS OF SATURATED PHOSPHORUS HETEROCYCLES .4. H-1, C-13, AND P-31 NUCLEAR MAGNETIC-RESONANCE STUDIES OF GEOMETRICAL ISOMERS OF 2-Z-4-METHYL-1, 3,2-DIOXAPHOSPHOLANES AND 4-TERT-BUTYL-1,3,2-DIOXAPHOSPHOLANES

VIBRATIONAL SPECTROSCOPY OF HIGH-TEMPERATURE METAL-HALIDE VAPOR COMPLEXES

KINETICS OF CYCLOPROPYL RADICAL REACTIONS .3. STUDY OF SOME 1-SUBSTITUTED CYCLOPROPYL RADICALS BY ELECTRON-PARAMAGNETIC-RES SPECTROSCOPY - THE INVERSION BARRIER FOR 1-METHYCYCLOPROPYL

GEOMETRIES AND VIBRATIONAL FREQUENCIES OF OXYACIDS AND CARBOXYLIC-ACIDS - A STUDY ON STRUCTURAL AND VIBRATIONAL EFFECTS

MONONUCLEAR BIS-AMINOCARBYNE COMPLEXES OF TUNGSTEN WITH TP' LIGANDS - THEORY OF METAL-CENTERED CARBYNE-CARBYNE COUPLING

Structural, vibrational, and energy characteristics of halide molecules of group II-V elements

Homoleptic complexes of Ag(I), Cu(I), Pd(II) and Pt(II) with tetrathiafulvalene-functionalized phosphine ligands

Asymmetric methoxyselenenylations and cyclizations with 3-camphorseleno electrophiles containing oxime substituents at C-2. Formation of an unusual oxaselenazole from an oxime-substituted selenenyl bromide

Partially bound systems as sensitive probes of microsolvation: A microwave and ab initio study of HCN center dot center dot center dot HCN-BF3

STRUCTURE OF SULFONE MOLECULES .1. DETERMINED VAPOR-PHASE MOLECULAR GEOMETRIES