STRUCTURE OF (SIO)2 - A COMPARISON BETWEEN (ALF)2, (SIO)2, AND (PN)2 - MATRIX INFRARED INVESTIGATION AND ABINITIO CALCULATION

AB-INITIO MOLECULAR-ORBITAL CALCULATION OF CARBOHYDRATE MODEL COMPOUNDS .2. CONFORMATIONAL-ANALYSIS OF AXIAL AND EQUATORIAL 2-METHOXYTETRAHYDROPYRANS

Synthesis, characterization, and crystal structures of new dications bearing the -Se-Se-bridge

Neutron diffraction and molecular dynamics study of liquid benzene and its fluorinated derivatives as a function of temperature

Matrix IR-spectroscopic and quantum-chemical study of difluorostannylene complexation with dinitrogen

Scaled quantum mechanical study of vibrational force field for p-difluorobenzene and p-fluorotoluene

Low-valent gallium, indium, and tin compounds that contain a highly fluorinated tris(pyrazolyl)borate ligand: Syntheses and characterization of [HB(3, 5-(CF3)(2)Pz)(3)]Ga, [HB(3,5- (CF3)(2)Pz)(3)]In, and [HB(3,5-(CF3)(2)Pz)(3)]Sn(CF3SO3)

Stable silylenes

Reactivity of heterophospholes toward 1, 3-dipolar cycloaddition of diazo compounds - an FMO analysis

Syntheses, structures, and properties of phenyltrihydrob orate complexes of zirconocene and titanocene

MR, FT-Raman spectra and ab initio DFT vibrational analysis of 2, 4-dichloro-6-nitrophenol

Thermochemical parameters of the chloronitrophenol isomers: A combined experimental and theoretical investigation

MOLECULAR-STRUCTURE OF DIVINYL SULFONE AS STUDIED BY ELECTRON-DIFFRACTION, VIBRATIONAL SPECTROSCOPY, AND SEMI-EMPIRICAL CNDO-2 MOLECULAR-ORBITAL CALCULATIONS

1-CHLORO-1, 1-DIHYDRO-1-PHENYL-3,3-DIMETHYL-3H-2,1-BENZOXATHIOLE, A CHLOROSULFURANE - STRUCTURAL MANIFESTATIONS OF AN ELECTRONICALLY UNBALANCED HYPERVALENT BOND

A MOLECULAR-ORBITAL STUDY OF THE BARRIER HEIGHT IN BENZALDEHYDE, AND THE CHANGES IN GEOMETRY WHICH ACCOMPANY THE ROTATION OF THE FORMYL GROUP

SYNTHESIS AND REACTIONS OF ARYLSELENOMETHYLSTANNYL COMPOUNDS, R3SNCH2SEAR - CRYSTAL AND MOLECULAR-STRUCTURE OF [(META-METHOXYPHENYLSELENO)METHYL]TRIPHENYLSTANNANE

A QUANTITATIVE SCALE FOR THE OXIDIZING STRENGTH OF OXIDATIVE FLUORINATORS

X-RAY AND SOLID-STATE NMR-STUDIES OF BIS(5, 5-DIMETHYL-2-THIOXO-1,3,2-DIOXAPHOSPHORINAN-2-YL) DISULFIDE AND DISELENIDE

Hund's cases for rotating diatomic molecules and for atomic collisions: Angular momentum coupling schemes and orbital alignment

Molecular geometries and vibrational spectra of phenol, benzaldehyde, and salicylaldehyde: Experimental versus quantum chemical data

Electron diffraction study of the nitrogen dioxide molecular structure at 294, 480, and 691 K

On the effects of basis set truncation and electron correlation in conformers of 2-hydroxy-acetamide

Molecular structure determination of cyclootane by ab initio and electron diffraction methods in the gas phase.

Normal vibrational mode analysis and assignment of benzimidazole by ab initio and density functional calculations and polarized infrared and Raman spectroscopy

Electronegativity, resonance, and steric effects and the structure of monosubstituted benzene rings: An ab initio MO study

Density functional theoretical study of nitrated polycyclic aromatic hydrocarbons

Vibrational spectra and ab initio computations of sarcosinium oxalate monohydrate

MOLECULAR-GEOMETRY OF SUBSTITUTED BENZENE-DERIVATIVES .3. STRUCTURAL EFFECTS OF CONJUGATION

THE INFLUENCE OF ELECTRONIC AND STERIC FACTORS ON THE COORDINATION AND ON THE CLUSTER BREAKDOWN OF POLYNUCLEAR RUTHENIUM CARBONYL-COMPOUNDS

THE ROLE OF D FUNCTIONS IN ABINITIO CALCULATIONS .2. THE DEFORMATION DENSITIES OF SO2, NO2, AND THEIR IONS

ABINITIO MOLECULAR-ORBITAL STUDY OF 1-METHYLSILATRANE AND MODEL COMPOUNDS

A NEW SYNTHESIS OF ALKYNYL SULFONES AND SINGLE-CRYSTAL X-RAY STRUCTURE OF P-(TOLYLSULFONYL)ETHYNE

STRUCTURAL KINETICS BY STROBOSCOPIC GAS ELECTRON-DIFFRACTION .1. TIME-DEPENDENT MOLECULAR INTENSITIES OF DISSOCIATIVE STATES

UNCOUPLED HARTREE-FOCK CALCULATIONS OF THE POLARIZABILITY AND HYPERPOLARIZABILITIES OF NITROPHENOLS

PREDICTION OF THE MOLECULAR SHAPE OF LANTHANIDE TRIHALIDES

Visual aspects of media literacy

Post-Hartree-Fock MP2 and density functional theory derived structure and vibrations of 1, 2-dithiole-2-thione and 1,2-dithiole-3-one

Ab initio molecular orbital study of the conformational energies (- Delta G degrees or A values) of 4-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes)

Facile synthesis and structure of heavy alkali metal thiocarboxylates: Structural comparison with the selenium and tellurium isologues

Tetracyclopropylmethane: A unique hydrocarbon with S-4 symmetry

Electronic structure of poly(iminomethylene) using semi-empirical methods

Multiple quantum NMR spectra of toluene and p-bromotoluene partially aligned in a nematic phase

A contribution to the microwave spectrum and structure of phenylacetylene

A DFT investigation of alkyne bromination reactions

Further consideration of the gas-liquid chromatographic method for determining the intramolecular hydrogen bond energies with the example of 2-substituted phenols

MOLECULAR-STRUCTURE AND VIBRATIONAL POTENTIAL FUNCTION OF HGI2-ELECTRON DIFFRACTION STUDY

SIGNS AND MECHANISMS OF C-13, F-19 SPIN SPIN COUPLING-CONSTANTS IN BENZOTRIFLUORIDE AND ITS DERIVATIVES

VIBRATIONAL-SPECTRA OF N, N-DIMETHYL DIETHYLANILINE, N,N,N',N'- TETRAMETHYL TETRAETHYL-PARA-PHENYLENEDIAMINE AND N,N,N',N'-TETRAMETHYL TETRAETHYLBENZIDINE DERIVATIVES

FROM SYMMETRY TO SYNTOPY - A FUZZY-SET APPROACH TO QUASI-SYMMETRICAL SYSTEMS

A FLUORESCENCE CHARACTERIZATION OF THE P-DIFLUOROBENZENE ARGON VANDERWAALS COMPLEX - ENERGY-LEVELS, GEOMETRIES AND DISSOCIATION-ENERGIES