ELECTRONIC-STRUCTURES AND CONFORMATIONAL STABILITIES OF SOME ORGANO-SULFUR COMPOUNDS

STRUCTURAL STUDY OF ORGANOSILICATE COMPOUNDS USING DEPOLARIZED RAYLEIGH DIFFUSION .5. ACCEPTOR PROPERTIES OF SILICON ELECTRONS IN SI-O-C AND SI-O-SI SYSTEMS

THE MOLECULAR-STRUCTURE OF PENTAFLUOROBENZENE SULFONYL CHLORIDE

MOLECULAR-STRUCTURE OF MONOMERIC COBALT DIBROMIDE WITH SOME INFORMATION ON THE STRUCTURE OF THE DIMER FROM ELECTRON-DIFFRACTION

MOLECULAR VIBRATIONS OF ALUMINUM TRICHLORIDE MONOMER WITH APPLICATION OF THE KEATING BENDINGS

VIBRATIONAL-SPECTRA AND STRUCTURE OF ALCL3NH3 AND MOLTEN MIXTURES WITH LICL-ALCL3, NACL-ALCL3, KCL-ALCL3, CSCL-ALCL3

THE MOLECULAR-STRUCTURE OF 4-METHYL BENZENESULFONYL CHLORIDE

ELECTRON-DIFFRACTION STUDY OF THE MOLECULAR-STRUCTURE OF N-METHYLBIS(TRIMETHYLSILYL)AMINE IN THE GAS-PHASE

MOLECULAR-STRUCTURE OF 4, 4'-SULFANDIYL-BIS-THIOPHENOL FROM ELECTRON-DIFFRACTION

MOLECULAR MECHANICS (MM2) CALCULATIONS ON SILOXANES

MOLECULAR-GEOMETRY OF (E)-METHYLCYANOVINYL AND (Z)-METHYLCYANOVINYL ETHER

MOLECULAR MECHANICS CALCULATIONS (MM3) ON ALIPHATIC-AMINES

FOURIER-TRANSFORM EMISSION-SPECTROSCOPY OF BEF2 AT 6.5-MU-M

CONFORMATION AND STRUCTURE OF ETHANE-1, 2-DITHIOL FROM ABINITIO HF AND MP3 STUDY

THE EQUILIBRIUM STRUCTURES OF MONOMERIC GROUP 2 AND LANTHANIDE(II) METALLOCENES MCP2 (M = CA, SR, BA, SM, EU, YB) STUDIED BY ABINITIO CALCULATIONS

DIRECT LASER-INDUCED EMISSION DETECTION OF THE S1 STATE AND T1 STATE OF GERMANIUM DICHLORIDE - PYROLYSIS JET SPECTROSCOPY AND ABINITIO STUDIES

INTEGRATION OF ELECTRONOGRAPHY WITH OTHER PHYSICAL METHODS OF RESEARCH

THE MICROWAVE-SPECTRUM OF DICHLOROSILYLENE (SICL2) IN EXCITED VIBRATIONAL-STATES

MOLECULAR-STRUCTURE OF 1, 2-DICARBA-CLOSO-DECABORANE(10) AS STUDIED BY THE CONCERTED USE OF ELECTRON-DIFFRACTION AND AB-INITIO CALCULATIONS

MOLECULAR-STRUCTURE OF 1-(DICHLOROBORYL)PENTABORANE(9), IN THE GAS-PHASE AS DETERMINED BY ELECTRON-DIFFRACTION AND SUPPORTED BY THEORETICAL CALCULATIONS

Monte Carlo global optimization in the refinement of molecular structure parameters from gas-phase electron diffraction data

The nitrosyl azide potential energy hypersurface: A high-energy-density boom or bust?

Azidotris(trifluoromethyl)germane, (CF3)(3)GeN3: Spectroscopic characterization and density functional computations

Theoretical study on some nitroresorcinols: Intramolecular hydrogen bonding

The structure of the free MnF3 molecule - A beautiful example of the Jahn-Teller effect

Instrumentation for time-resolved electron diffraction spanning the time domain from microseconds to picoseconds

Molecular geometry: bridging qualitative modeling and accurate computations. A comparative study of simple nitrogen and phosphorus derivatives

Hydrogen bonding in 2-trifluoromethylresorcinol and 2, 6-bis(trifluoromethyl)phenol and its geometrical consequences

Molecular structure of tert-butylazide: A gas-phase electron diffraction and quantum chemical study

Chemical bonding in hypervalent molecules revised. 2. Application of the atoms in molecules theory to Y(2)XZ and Y(2)XZ(2) (Y = H, F, CH3; X = O, S, Se; Z = O, S) compounds

(X)over-tilde(1)A(1), (a)over-tilde(3)B(1), and (A)over-tilde(1)B(1) states of SiCl2: Ab initio calculations and simulation of emission spectra

Soft bending modes of terminal chlorides in gaseous two-and three-coordinate Cu(II)-Cl species

Gas phase structures and conformations of trifluoromethanesulfonyl fluoride, CF3SO2F, difluoromethanesulfonyl fluoride, CHF2SO2F, and difluoromethanesulfonyl chloride, CHF2SO2Cl

Cyclic aromatic systems with hypervalent centers

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

Equilibrium bond lengths, force constants and vibrational frequencies of MnF2, FeF2, CoF2, NiF2, and ZnF2 from least-squares analysis of gas-phase electron diffraction data

Electronic spectra of tetrathiafulvalene and its radical cation: analysis of the performance of the time-dependent DFT approach

Preparation of functionalized thianthrenes and their higher related compounds by photolysis of benzotrithiole derivatives

Optical constants and vibrational assignment of liquid toluene-d(8) between 4000 and 450 cm(-1) at 25 degrees C

Dihedral angles in cyclic molecules

A scaled quantum mechanical force field for the sulfuryl halides. I. The symmetric halides SO2X2 (X = F, Cl, Br)

Calorimetric and computational study of 1, 3-dithiacyclohexane 1,1-dioxide (1,3-dithiane sulfone)

Tautomerism and polarizability in uracil: coupled cluster and density-functional theory study

The driving forces for distorting NBA-like species away from their planar geometries

Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 10 - Carbocages

PCM study of the solvent and substituent effects on the conformers, intramolecular hydrogen bonds and bond dissociation enthalpies of 2-substituted phenols

Vibrational analysis and conformational study of 3-dimethylamino-2-acetyl propenenitrile and 3-dimethylamino-2-methylsulfonyl propenenitrile

Estimation of intramolecular hydrogen bond energy via molecular tailoring approach

Stereoelectronic effects on H-1 nuclear magnetic resonance chemical shifts in methoxybenzenes

HIGH-TEMPERATURE ELECTRON-DIFFRACTION STUDY OF MOLECULAR-STRUCTURE OF NICKEL(II) BROMIDE