ENERGETICS AND STRUCTURE OF THE 1-ADAMANTYL AND 2-ADAMANTYL RADICALS AND THEIR CORRESPONDING CARBONIUM-IONS BY PHOTOELECTRON-SPECTROSCOPY

ABINITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT - .70. ON THE ADDITIVITY PRINCIPLE IN STRUCTURE CONFORMATION RELATIONS - QUANTITATIVE PREDICTIONS OF SOME CONFORMATIONAL STRUCTURAL TRENDS IN ALIPHATIC-KETONES FROM ACETONE AND BUTANONE

GAS CRYSTAL STRUCTURAL DIFFERENCES IN AROMATIC-MOLECULES

THE ISOMERIZATION OF NITROBENZENE TO PHENYLNITRITE

The diversity of non-metal fluorine chemistry

The five favored backbone conformations of n-Si4Et10: cisoid, gauche, ortho, deviant, and transoid

Rydberg states of the allyl radical observed by two-photon resonant ionization spectroscopy

The photolysis of ortho-nitrophenols: a new gas phase source of HONO

THE NMR-STUDY AND CNDO-2 MOLECULAR-ORBITAL CALCULATION OF SILACYCLOBUTANES

ELECTRIC-FIELD GRADIENT AND ELECTRONIC-STRUCTURE OF LINEAR-BONDED HALIDE COMPOUNDS

P-PI-P-PI BONDING BETWEEN PHOSPHORUS AND SULFUR - SYNTHESIS AND CHARACTERIZATION OF A DITHIAPHOSPHOLIUM CATION

THIOCROWN ETHERS CONTAINING THE THIOACETAL LINKAGE - TOWARD FUNCTIONALIZATION OF THE MOLECULAR PERIPHERY - MOLECULAR-STRUCTURE OF 1, 3,6,10-TETRATHIACYCLODODECANE - A NOVEL MACROCYCLIC THIOETHER CONTAINING METHYLENE, PROPYLENE, AND ETHYLENE BRIDGES

Novel tris(pyrazolyl)borates bearing perfluoroalkyl pigtails. Syntheses and characterization of the sodium and copper(I) complexes of [HB(3- (R)Pz)(3)](-) (R=C2F5, C3F7; Pz=pyrazolyl)

Investigations on systems of the type PCl3/MCl3/arene (M = Al, Ga), I. Reactions with monohalobenzenes; Multinuclear NMR spectroscopic characterization of aryldichlorohydrogenphosphonium salts; Crystal structure of para-fluorophenyldichlorophosphonium tetrachloroaluminate

Synthesis and reactivity of silicon transition metal complexes, 43 - Iron and ruthenium fragment substituted disilanes C5R5(OC)(2)M-Si2X5 (R = H, Me; M = Fe, Ru; X = Cl, H): Synthesis, structural and Raman spectroscopic characterisation, DFT calculation

Intramolecularly coordinated organoselenium darivatives: Syntheses, structure and reactivity

The molecular structure of different species of cuprous chloride from gas-phase electron diffraction and quantum chemical calculations

An ab initio quantum-chemical study of C6H5S(O)CH3 and C6H5S(O)CF3

THE HARMONIC FORCE-FIELDS OF BF3, SNCL4 AND SBBR3 OBTAINED BY THE JOINT USE OF ELECTRON-DIFFRACTION AND VIBRATIONAL SPECTROSCOPY DATA

REGULAR AND SEMI-REGULAR POLYTOPES .3.

SPIN POLARIZATION VERSUS SPIN DELOCALIZATION - TOPOLOGICAL ELECTRON AND SPIN-DENSITY ANALYSIS OF THE ROTATIONAL AUTOMERIZATION OF ALLYL RADICAL INCLUDING ELECTRON CORRELATION-EFFECTS

Symmetry in crystallography

Phenoxyl, (methylthio)phenoxyl, and (methylthio)cresyl radical models for the structures, vibrations, and spin properties of the cysteine-linked tyrosyl radical in galactose oxidase

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

Computational investigation of vicinal disulfoxides and other sulfinyl radical dimers

Some periodic trends, molecular structure, normal coordinate analysis of 1, 3,5-trioxane, -trithiane and -triselenane: computational and vibrational studies

Analyzing solution-phase time-resolved x-ray diffraction data by isolated-solute models

STEREOCHEMICAL STUDIES .34. QUANTITATIVE DESCRIPTION OF RING PUCKERING VIA TORSIONAL ANGLES - THE CASE OF 6-MEMBERED RINGS

TAUTOMERISM OF URACIL - THE FINAL CHAPTER - 4TH-ORDER ELECTRON CORRELATION CONTRIBUTIONS TO THE RELATIVE ENERGIES OF TAUTOMERS

Pump-probe diffraction imaging of vibrational wave functions

Non-bonded S center dot center dot center dot N interactions in organosulfur derivatives: Crystal and molecular structures of [2-(4, 4-dimethyl-2-oxazolinyl)phenyl] benzyl sulfide and bis[2-(4,4-dimethyl-2-oxazolinyl)phenyl] sulfide

Polymetalated aromatic compounds. 1. Synthesis of mono-, di-, and tripalladated mesitylene derivatives

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

Relation between the substituent effect and aromaticity. Part II. The case of meta-and para-homodisubstituted benzene derivatives

ON SOME PROPERTIES AND THE REACTIVITY OF TRICHLOROALUMINIUM-ETHANTHIOL AND TRICHLOROGALLIUM-ETHANTHIOL COMPLEXES

THE BALANCE BETWEEN THEORETICAL METHOD AND BASIS SET QUALITY - A SYSTEMATIC STUDY OF EQUILIBRIUM GEOMETRIES, DIPOLE-MOMENTS, HARMONIC VIBRATIONAL FREQUENCIES, AND INFRARED INTENSITIES

Discovering the fullerenes

Discovering the fullerenes

Oxidation of germanium(II) azides with HN3: a convenient route to six-co-ordinate triazidogermanium(IV) compounds

Vibrational frequencies and structure of 2-thiouracil by Hartree-Fock, post-Hartree-Fock and density functional methods

Blue-shifted dihydrogen bonds

How the shape of the NH2 group depends on the substituent effect and H-bond formation in derivatives of aniline

A MOLECULAR-DYNAMICS COMPUTER-SIMULATION STUDY OF THE HYDRATION OF BIS(METHYLSULFONYL)METHANE IN WATER

ON THE STRUCTURE OF THE ALKALINE-EARTH DIHALIDES DIMERS

ULTRAFAST ELECTRON-DIFFRACTION .5. EXPERIMENTAL TIME RESOLUTION AND APPLICATIONS

Molecular quadrupole moments for the series of fluoro-and chlorobenzenes

The photochemistry of ethylene episulfoxide

Density functional study of some germylene insertion reactions

The unit-subduced-cycle-index methods and the characteristic-monomial method. Their relationship as group-theoretical tools for chemical combinatorics

Basis set effects on the energy of intramolecular O-H center dot center dot center dot halogen hydrogen bridges in ortho-halophenols and 2, 4-dihalo-malonaldehyde