FTIR SPECTRA OF HSCH2CH2SH, CH3SCH2SH, AND CH3SSCH3 IN ARGON AND NITROGEN MATRICES

STUDIES ON THE BORON-NITROGEN BOND-LENGTH OF THE CLASSICAL DONOR-ACCEPTOR COMPLEX H3N-BF3

SELF-CONSISTENT CHANGES OF GEOMETRICAL PARAMETERS - EXPERIMENT AND THEORY

CONFORMATIONAL COMPOSITION IN THE GAS-PHASE AND IN SOLUTION, STRUCTURE AND INTRAMOLECULAR HYDROGEN-BONDING OF THIIRANEMETHANETHIOL AS STUDIED BY MICROWAVE AND NMR-SPECTROSCOPY AND AB-INITIO CALCULATIONS

PREPARATION OF N(SECL)(2)(+)X(-) (X=SBCL6 OR FECL4), F3CCSENSECCF3+SBCL6-, F3CCSENSECCF3, F3CCSESECCF3 AND F3CCSESEC(CF3)C(CF3)SESECCF3 - ELECTRON-DIFFRACTION STUDY OF F3CCSESECCF(3) AND CRYSTAL-STRUCTURE OF THE 8-MEMBERED HETEROCYCLE F3CCSESEC(CF3)C(CF3)SESECCF3

STRUCTURES STABILITY RELATIONSHIPS IN UNSATURATED SULFUR-COMPOUNDS .5. AN AB-INITIO STUDY OF THE STABLE CONFORMATIONS OF (E)-METHYL-L-PROPENYL AND (Z)-METHYL-1-PROPENYL SULFIDE, SULFOXIDE AND SULFONE

Generation of thionitroso compounds from N, N'-thiodiamines. A molecular orbital study

MAGNETIC MOLECULES IN MATRICES

MOLECULAR-GEOMETRY OF 5-METHYL-2-FURALDEHYDE FROM GAS ELECTRON-DIFFRACTION

DISSOCIATION-ENERGIES OF THE MONOCHLORIDES AND DICHLORIDES OF CR, MN, FE, CO, AND NI

Synthetic pathways of the chalcogenobispyridines

Molecular structure of 2-methylthiophene studied by gas electron diffraction combined with microwave spectroscopic data

Reactions of [(CO)(3)Mn(eta(5)-Thi)](+) (Thi equals thiophene or 2, 5-dimethylthiophene) with nucleophiles

Bent's rule and the structure of transition metal compounds

Gas-solid structure differences in the donor-acceptor complex (CH3)(2)HN-SO2

Chloromethyldichloromethylsilane and chloromethyldimethylchlorosilane: Structure, conformational composition and torsional potential determined by gas-phase electron diffraction and ab initio molecular orbital calculations

The reaction of bromine azide with bromine

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

Deviations from idealised geometries .4. Approximately tetrahedral molecules of form MX2Y2 studied by SCF and MP2 localised orbital calculations

Scaled quantum mechanical study of 2, 6-difluorophenol: A fluorine-containing weak hydrogen-bonded system

The first structurally characterised solvent-free sigma-bonded diorganocalcium, Ca[C(SiMe3)(3)](2)

The coordination chemistry of the CF unit in fluorocarbons

Determination of molecular structure of 4-bromobenzaldehyde using gas electron diffraction and ab initio calculations

Intra-and intermolecular hydrogen bonding in 2-phosphinylphenol: A quantum chemical study

Molecular structure of tetravinylmethane from gas-phase electron diffraction

Asymmetric synthesis with chiral diselenides

Ab initio molecular orbital study of energies and conformers of 3, 4-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiin, 4H-1,3-dithiin, and 2,3-dihydro-1,4-dithiin

Characterization of an intramolecular nonbonded interaction between selenium and fluorine in solution

Continuous symmetry measures. 5. The classical polyhedra

The synthesis of tetraphenylarsonium azide, [Ph4As](+)[N-3](-, ) and the attempted preparation of tetraphenylarsonium azidodithiocarbonate, [Ph4As](+)[SCSN3](-)

The gas phase structure of N-(trifluoromethyl)iminosulphur dichloride, CF3N=SCl2

Geometry and electronic structure of silylated hydroxylamine and carbamic acid derivatives

Solvent dependence of rotational energetics and formyl-proton long-range spin-spin coupling behavior of 2, 6-dichloro-and 2,6-dinitrobenzaldehydes using dipolar couplings and temperature dependence of long-range couplings

Fluorescence of thymine tautomers at room temperature in aqueous solutions

Structural and dynamic features of tetrahydroborate complexes

Molecular structure of diphenyl ether. An electron diffraction and ab initio study

Fourier transform Raman spectrum, vibrational assignment and ab initio calculation of methanesulfonic acid in the gas and liquid phases

Systematic molecular dynamics studies of liquid N, N-dimethylformamide using optimized rigid force fields: Investigation of the thermodynamic, structural, transport and dynamic properties

Rearrangements of 2-nitrobenzyl compounds. 1. Potential energy surface of 2-nitrotoluene and its isomers explored with ab initio and density functional theory methods

Selenium imides: Se-77 NMR investigations of the SeCl2-(BuNH2)-Bu-t reaction and X-ray structures of Se-3((NBu)-Bu-t)(3), (BuNSe)-Bu-t(mu- (NBu)-Bu-t)(2)SO2, and (BuNSe)-Bu-t(mu-(NBu)-Bu-t)(2)SeO

Transition metal-chlorine anions and cations: monomers, clusters, and periodic trends

Quantum chemistry and classical simulations of metal complexes in aqueous solutions

Theoretical study of the internal rotational barriers in nitrobenzene, 2-nitrotoluene, 2-nitrophenol, and 2-nitroaniline

Calorimetric and computational study of 1, 3,5-trithiane

Studies of electronic properties of medium and large molecules oriented in a strong uniform electric field

Planarity of acetamides, thioacetamides, and selenoacetamides: Crystal structure of N, N-dimethylselenoacetamide

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

The molecular structures of the three disilylbenzenes determined in the gas phase, the solid state and by ab initio calculations

[4-(Trifluoromethyl)phenyl]acetonitrile

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