SYNTHESIS AND ELECTRON-DIFFRACTION STRUCTURE OF ALL-CIS-[5.5.5.5]FENESTRANE

MOLECULAR-STRUCTURE AND CRYSTAL PACKING OF 5 4-AMINOPHENYL (4-SUBSTITUTED PHENYL) SULFONES - CORRELATIONS BETWEEN STRUCTURAL DISTORTIONS, SPECTROSCOPIC PARAMETERS AND ELECTRONIC SUBSTITUENT EFFECTS

A THEORETICAL AND EXPERIMENTAL INVESTIGATION OF VICINAL TRICARBONYL SYSTEMS AND THEIR HYDRATES

FIRST PREPARATION, STRUCTURAL DETERMINATION BY X-RAY CRYSTALLOGRAPHIC ANALYSIS AND MO-CALCULATIONS OF DIBENZO[BC, FG][1,4]DITHIAPENTALENE AND ITS SELENIUM ANALOGS

VIBRATIONAL AND CONFORMATIONAL STUDY OF FSO2NCO-FT-IR, PRERESONANCE RAMAN EFFECT, FORCE-FIELD AND THEORETICAL CALCULATIONS

VIBRATIONAL-SPECTRA AND GAS-PHASE STRUCTURES OF FLUORINE FLUOROSULFATE (FOSO2F) AND CHLORINE FLUOROSULFATE (CLOSO2F)

HYPERCONJUGATION AS A DRIVING-FORCE FOR THE DIFFERENT CONFORMATION OF SYMMETRICAL TRIETHYL DERIVATIVES OF BOROXIN, BORAZINE, BENZENE AND TRIAZINE

Chemical bonding in oxofluorides of hypercoordinate sulfur

The vibrational frequencies, molecular geometry and thermodynamic properties of the actinide tetrahalides

(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

Hydrogen bonding and molecular vibrations of 2, 5-dihydroxy-1,4-benzoquinone

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

Ultrafast electron diffraction and structural dynamics: Transient intermediates in the elimination reaction of C2F4I2

Theoretical DFT and experimental NMR studies on uracil and 5-fluorouracil

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

Models of molecular geometry

VIBRATIONAL-SPECTRA OF METHANESULFONYL CHLORIDE AND METHANESULFONYL CHLORIDE D3

APPLICABILITY OF VSEPR MODEL FOR MOLECULAR GEOMETRIES OF SOME TETRAHEDRAL AND RELATED MOLECULES

FLASH PHOTOLYTIC STUDY OF THIATRIAZOLES AND MESOIONIC OXATHIAZOLES - THERMAL-DECOMPOSITION OF NITRILE SULFIDES

GEOMETRY AND CONFORMATION OF DIMETHYL SULFATE AS INVESTIGATED BY ELECTRON-DIFFRACTION AND DIPOLOMETRY

STANDARD BASIS-SETS WITH POLARIZATION FUNCTIONS

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

ROTAMERS OF SOME RADICAL-IONS AS EVIDENCED BY OPTICAL AND ELECTRON-SPIN-RESONANCE SPECTROSCOPY

A MOLECULAR-DYNAMICS COMPUTER-SIMULATION STUDY OF THE TEMPERATURE-DEPENDENCE OF HYDRATION OF 1, 4-DIOXANE AND 1,3-DIOXANE

A STUDY OF THE CONFORMATION OF SOME 3, 3'-BITHIENYL AND BISELENIENYL DERIVATIVES BY MEASUREMENTS OF TWISTING POWERS IN NEMATIC LIQUID-CRYSTALS AND OF DIPOLE-MOMENTS

ELECTRONIC-STRUCTURE AND CONFORMATIONAL PROPERTIES OF AZINES .2. 2, 5-DIACETYL-3,4-DIAZAHEXA-2,4-DIENE, A 2,3-DIAZA-1,3-DIENE WITH A SYNCLINAL CONFORMATION - AN X-RAY CRYSTALLOGRAPHIC, HE-1 PHOTOELECTRON SPECTROSCOPIC, AND MNDO STUDY

DIBROMOMETHYLSULFONIUM SALTS - PREPARATION AND CRYSTAL-STRUCTURE

MOLECULAR-STRUCTURE OF TRIMETHYLPHOSPHINE-BORANE AS DETERMINED FROM ELECTRON-DIFFRACTION AND MICROWAVE SPECTROSCOPIC DATA

STRUCTURE OF AND TAUTOMERISM OF CYCLOPENTADIENE DERIVATIVES .6. TAUTOMERIC MIGRATIONS ARYLTHIO-GROUPS AND TRIFLUOROMETHYLSELENO-GROUPS IN THE PENTAMETHOXYCARBONYLCYCLOPENTADIENE SYSTEM

MOLECULAR-STRUCTURE OF TRANS-METHYLCHLOROVINYL SULFONE - A MOLECULAR-ORBITAL CONSTRAINED ELECTRON-DIFFRACTION REINVESTIGATION - EVIDENCE FOR INTRAMOLECULAR HYDROGEN-BONDING

THE CUBANE STRUCTURE OF MO4O4(MU-3-O)4(OSI(CH3)3)4(HN(CH3)2)4

ABINITIO ROHF CI CALCULATIONS OF HYPERFINE COUPLING-CONSTANTS OF SMALL PI-RADICALS

ELECTRONIC-STRUCTURE OF TETRAPHENYLDITHIAPYRANYLIDENE - A VALENCE EFFECTIVE HAMILTONIAN THEORETICAL INVESTIGATION

THE REACTION BETWEEN H-NB2O5 (C) AND WO3 (G)

ON THE BO BOND-LENGTH IN OXADIBORIRANES

EFFECT OF INTERMOLECULAR HYDROGEN-BONDING ON THE MOLECULAR-STRUCTURES OF IMIDAZOLE AND 1, 2,4-TRIAZOLE - A STUDY BY AB-INITIO MOLECULAR-ORBITAL CALCULATIONS

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

PENTAMETHYLCYCLOPENTADIENYLSELENIUM DERIVATIVES - SYNTHESIS AND X-RAY CRYSTAL-STRUCTURES OF [M(CO)(5)(SE-2(SIGMA-C(5)ME(5))(2))] (M=CR, W)

CALCULATIONS OF THE ENERGIES, GEOMETRIES AND VIBRATIONAL FREQUENCIES OF THE GROUND AND FIRST EXCITED SINGLET-STATES OF TOLUENE AND P-CRESOL

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

Electron diffraction and vibrational spectra of difluorodioxirane, CF2O2

Synthesis and conformational preferences of a potential beta-sheet nucleator based on the 9, 9-dimethylxanthene skeleton

Tetrafluorophosphate anion

Bonding in the monochlorides and dichlorides of iron and cobalt

Maturity of finite groups. An application to combinatorial enumeration of isomers

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

Unusual dimer structures of the heavier alkaline earth dihalides: A density functional study

peri-interactions in naphthalenes, 4 [1]. Hypercoordination in 8-dimethylamino-naphth-1-yl phosphorus compounds

Concerning the solvent effect in the tautomerism of uracil, 5-fluorouracil, and thymine by density-functional theory and ab initio calculations

Accurate scaling of the vibrational spectra of aniline and several derivatives