MOLECULAR VIBRATIONS AND FORCE-FIELDS OF ALKYL SULFIDES .13. INFRARED-SPECTRA AND CONFORMATIONS OF RSCH2CH2SR (R=ME, ET,PR AND BU)

CNDO-2 PARAMETRIZATIONS AND THE APPLICATIONS TO SOME ORGANOSULFUR MOLECULES - (CH2SH)2, (CH2SCH3)2, CH3SCH2SH, AND CH3SCH2SCH3

2, 4,6-TRIFLUORO-1,3,5-TRIMETHYL-2,4,6-TRIPHENYLCYCLOTRISILAZANE

ESTIMATION OF THE TORSIONAL POTENTIAL FOR PERFLUORODIMETHYL ETHER FROM ELECTRON-DIFFRACTION DATA

BINUCLEAR METAL-CARBONYL DAB COMPLEXES .6. SYNTHESES AND SPECTROSCOPIC PROPERTIES OF MCO(CO)5MU2-CO)(DAB) (M = MN, RE - DAB = 1, 4-DIAZABUTADIENE) - X-RAY STRUCTURE OF [SIGMA2-N,SIGMA2-N,ETA2-C=N- [GLYOXAL BIS(TERT-BUTYLIMINE)]]HEXACARBONYLCOBALTMANGANESE

BOND RELAXATION AND NON-BONDED DISTANCES IN GEM-DIHALIDES AND RELATED MOLECULES

INTERACTION OF METAL CENTERS WITH THE 1, 4-DIAZA-1,3-BUTADIENE (ALPHA-DIIMINE) LIGAND - VERSATILE COORDINATION CHEMISTRY AND APPLICATIONS IN ORGANIC-SYNTHESIS AND CATALYSIS

STUDY OF THE STRUCTURE OF CARBANIONS ALPHA TO SULFUR

A THEORETICAL REEXAMINATION OF CARBANIONS ADJACENT TO SULFOXIDE, SULFONE AND SULFONIUM CENTERS

HYPERVALENCY AND THE SULFUR D-ORBITAL PROBLEM

CRYSTALLOGRAPHIC STUDIES AND PHYSICOCHEMICAL PROPERTIES OF PI-ELECTRON SYSTEMS .5. SUBSTITUENT EFFECT ON THE GEOMETRY OF THE BENZENE-RING IN BENZENE-DERIVATIVES

THE TRANS INFLUENCE OF CF3 - GAS-PHASE STRUCTURE OF CF3SF5

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

MOLECULAR POLARIZABILITY OF ORGANIC-COMPOUNDS AND THEIR COMPLEXES .24. COMPUTATION OF POLARIZABILITY OF AROMATIC HETEROCYCLES AND THEIR SUBSTITUENTS IN THE APPROXIMATION OF FIELD SYSTEM

CENTRAL OR DISTRIBUTED MULTIPOLE MOMENTS - ELECTROSTATIC MODELS OF AROMATIC DIMERS

ON THE BOND LENGTH VARIATION OF 1ST-SERIES TRANSITION-METAL DIHALIDES AND TRIHALIDES - A COMMENT ON THE BOND LENGTH OF FEF3

BOND ANGLE OF CAF2 IN SEVERAL HOST MATRICES

GAS-PHASE AND CRYSTAL MOLECULAR-STRUCTURES OF CIS-PDCL2[P(CH3)3]2

SIMPLE PREPARATION OF STERICALLY CONGESTED 1, 9-DISUBSTITUTED DIBENZOTHIOPHENES AND FORMATION OF THEIR DITHIA DICATIONS VIA TRANSANNULAR S-S INTERACTION

MOLECULAR-PARAMETERS OF GASEOUS CDCL2 FROM ELECTRON-DIFFRACTION AND VIBRATIONAL SPECTROSCOPIC DATA

ELECTRON-DIFFRACTION AND QUANTUM-CHEMICAL STUDY OF THE MOLECULAR-STRUCTURE OF O-CHLOROANISOLE, M-CHLOROANISOLE AND P-CHLOROANISOLE

AN AB-INITIO MOLECULAR-ORBITAL STUDY OF SMALL MAGNESIUM DIHALIDE CLUSTERS

EFFECT OF INTERMOLECULAR O-H-CENTER-DOT-CENTER-DOT-CENTER-DOT-O HYDROGEN-BONDING ON THE MOLECULAR-STRUCTURE OF PHENOL - AN AB-INITIO MOLECULAR-ORBITAL STUDY

MOLECULAR-STRUCTURE OF BISMUTH TRICHLORIDE FROM COMBINED ELECTRON-DIFFRACTION AND VIBRATIONAL SPECTROSCOPIC STUDY

CORRELATED AB-INITIO FORCE-FIELDS AND VIBRATIONAL ANALYSIS OF THE SPECTRA OF ISOXAZOLE AND ISOTHIAZOLE

Neutron inelastic scattering, optical spectroscopies and scaled quantum mechanical force fields for analyzing the vibrational dynamics of pyrimidine nucleic acid bases .1. Uracil

Synthesis and solution fluxionality of rhenium(I) carbonyl complexes of 2, 4,6-tris(pyrazol-1-yl)-1,3,5-triazines (L), [ReX(CO)(3)L] (X=Cl, Br or I). Characterization of [{ReX(CO)(3)}(2)L] (X=Cl or Br)

Theoretical calculations on excited electronic states of benzaldehyde and observation of the S-2<-S-0 jet-cooled spectrum

Crystal structures and properties of cyclic polyenes possessing disulfide units

Intramolecular hydrogen bonding and molecular structure of 2, 5-dihydroxyterephthalaldehyde and 4,6-dihydroxyisophthalaldehyde: A gas-phase electron diffraction and ab initio molecular orbital study

Fenestranes in recent synthetic developments

FT-IR investigation of N, N-dimethylcarbamyl chloride

The coordination chemistry of the CF unit in fluorocarbons

Conformations of stilbene-like species and new method of energy partition

Regularizing algorithm for determination of equilibrium geometry and harmonic force field of free molecules from joint use of electron diffraction, vibrational spectroscopy and ab initio data with application to benzene

Generation of 1, 3-dithia-, 1-selena-3-thia-, and 1,3-diselena-2-tellurole by neutralization-reionization mass spectrometry

Inherent automorphism and Q-conjugacy character tables of finite groups. An application to combinatorial enumeration of isomers

Molecular structure of the aluminum halides, Al2Cl6, AlCl3, Al2Br6, AlBr3, and AlI3, obtained by gas-phase electron-diffraction and ab initio molecular orbital calculations

Theoretical study of salicylaldehyde conformal isomers and their intramolecular oxygen and hydrogen relations

An ab initio molecular orbital study of the conformational energies of 3-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes)

The diffraction signatures of individual vibrational modes in polyatomic molecules

An ab initio molecular orbital theory and density functional theory study of the conformational free energies of methyltetrahydro-2H-thiopyrans

Theoretical analysis of the electronic spectra of benzaldehyde

Unusual reactions of cationic bridging carbyne complexes of dimethylsilane-bridged bis(eta(5)-cyclopentadienyl)diiron tricarbonyl with nucleophiles. A route to iron-sulfur cluster bridging carbene complexes

The structure of gaseous carbon tetraiodide from electron diffraction and all carbon iodides, CIn, (n=1-4), and their dimers, C2I2n (n=1-3) from high-level computation. Any other carbon-iodide species in the vapor?

A computational study of conformers of 1, 3-dioxane (1,3-dioxacyclohexane)

SARACEN - molecular structures from theory and experiment: the best of both worlds

Ab initio molecular dynamics computation of the infrared spectrum of aqueous uracil

REPORT ON ACTIVITIES OF ELECTRON DIFFRACTION GROUP AT OSLO

MOLECULAR FORCE FIELD FOR SULPHURYL BROMIDE FLUORIDE AND SULPHURYL CHLORIDE FLUORIDE