Steric compression and twist in o-hydroxy acyl aromatics with intramolecular hydrogen bonding

Dimerisation and vibrational spectroscopic properties of (RS)- phenylsuccinic acid

HIGH-SPIN MOLECULES - ELECTRON-SPIN RESONANCE OF MANGANESE HALIDES AND SULFIDE AT 4 K

SYNTHESIS, CHARACTERIZATION, AND GROUND ELECTRONIC STATE OF THE UNSTABLE MONOMERIC MANGANESE(IV) PORPHYRIN COMPLEXES DIAZIDO(5, 10,15,20-TETRAPHENYLPORPHINATO) MANGANESE(IV) AND BIS(ISOCYANATO) (5,10,15,20-TETRAPHENYLPORPHINATO)MANGANESE(IV) - CRYSTAL AND MOLECULAR-STRUCTURE OF THE BIS(ISOCYANATO) COMPLEX

ELECTRON-DIFFRACTION IN GAS-PHASE AND MOLECULAR-STRUCTURE

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

A theoretical study of the structures of flavin in different oxidation and protonation states

Ultrafast diffraction imaging of the electrocyclic ring-opening reaction of 1, 3-cyclohexadiene

Vibrational frequencies and structural determination of adamantane

Valence bond formulations of mechanisms for the formation and decomposition of N2O5 (vol 3, pg 355, 2006)

MOLECULAR VIBRATIONS AND MEAN SQUARE AMPLITUDES .3. MEAN AMPLITUDES OF VIBRATION FOR INORGANIC 6-ATOMIC MOLECULES

HYDROGEN-BONDING IN 2-FLUOROPHENOL, AND ROTATION ABOUT THE C=O BOND - A MOLECULAR-ORBITAL STUDY

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

CONFORMATIONAL STUDIES OF THE N-(3-HALOBENZYLIDENE)-3-HALOANILINE SYSTEM .2. MOLECULAR ENERGETICS

MOLECULAR-STRUCTURE AND CONFORMATION OF TERT-BUTYLBENZENE - A CONCERTED STUDY BY GAS-PHASE ELECTRON-DIFFRACTION AND THEORETICAL CALCULATIONS

Photoelectron spectroscopy of the allyl and 2-methylallyl anions

Ab initio and regularized force fields of haloethanes: CH3CH2Cl, CH3CHCl2, CH3CF2Cl, and CH3CFCl2

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

First signals of electrochemically oxidized species of TTF and TTM-TTF: A study by in situ spectroelectrochemical FTIR and DFT calculations

Design of reversible one-electron redox systems using five-membered heterocycles containing sulfur, selenium, and tellurium

10 YEARS OF SOVIET-HUNGARIAN COOPERATION IN FIELD OF ELECTRON-DIFFRACTION STUDY OF MOLECULAR-STRUCTURE

THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .10. GEOMETRY AND PUCKERING POTENTIAL OF AZETIDINE, (CH2)3NH, COMBINATION OF ELECTRON-DIFFRACTION AND ABINITIO STUDIES

2-PULSE 2-LASER PHOTODISSOCIATIONS OF MOLECULAR-IONS - COLLISIONAL RELAXATION OF BROMO-3-(TRIFLUOROMETHYL)-BENZENE CATION

VALENCE BONDS IN THE MAIN GROUP ELEMENTS .2. THE SULFUR-OXIDES

MOLECULAR MECHANICS CALCULATIONS (MM3) ON ALIPHATIC-AMINES

MICROWAVE-SPECTRUM OF SULFURYL CHLORIDE FLUORIDE, SO2CLF - STRUCTURE, HYPERFINE CONSTANTS AND HARMONIC FORCE-FIELD

Calculations of polarizabilities of uracil and cytosine 5-haloderivatives

Transition from spherical circle packing to covering: Geometrical analogues of chemical isomerization

Effect of substituents in the ring on the structure and electron density distribution in benzyl halides

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

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

Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states

Ah initio investigation of the structural and electronic properties of the molecules and crystals of tetraphenyl derivatives of group IVA elements

ELECTRON-DIFFRACTION DETERMINATION OF VAPOR-PHASE MOLECULAR-STRUCTURE OF AZETIDINE, (CH2)3NH

THE MOLECULAR-STRUCTURE OF PARA-BIS(TRIMETHYL-SILYL)-BENZENE FROM GAS ELECTRON-DIFFRACTION

THE CRYSTAL AND MOLECULAR-STRUCTURE OF TRIS(SUBSTITUTED AMINO) SULFONIUM IONS

MECHANISMS OF LONG-RANGE C-13, C-13 SPIN SPIN COUPLING IN THIOANISOLE AND ITS DERIVATIVES - CONFORMATIONAL APPLICATIONS

MICROWAVE SPECTROSCOPIC INVESTIGATION OF THIONYL CHLORIDE, SOCL2 - HYPERFINE CONSTANTS AND HARMONIC FORCE-FIELD

Intramolecular chalcogen-nitrogen interactions: Molecular and electronic structures of geometrical isomers of the diazenes RSN=C(R')N=NC(R')=NSR

Enumeration of staggered conformers of alkanes and monocyclic cycloalkanes

Molecular orbital study of the conformational energies (-Delta G degrees or A values) of 2-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes)

High-level ab initio calculations of torsional potential of phenol, anisole, and o-hydroxyanisole: Effects of intramolecular hydrogen bond

The inclusion of electron correlation in intermolecular potentials: applications to the formamide dimer and liquid formamide

Quantitative evaluation of weak nonbonded Se center dot center dot center dot F interactions and their remarkable nature as orbital interactions

Coupling properties of imidazole dimer radical cation assisted by embedded water molecule: Toward understanding of interaction character of hydrogen-bonded histidine residue side-chains

Solvent influence on the rotational isomerism in terephthalaldehyde

MOLECULAR ELECTROSTATICS .1. QUANTITATIVE PREDICTION OF MOLECULAR ELECTROOPTICAL PROPERTIES - APPLICATION TO ALKANES AND ALKYL CHLORIDES

MOLECULAR MECHANICS AND MOLECULAR SHAPE .6. THE RESPONSE OF SIMPLE MOLECULES TO BIMOLECULAR ASSOCIATION

THE MOLECULAR-STRUCTURE OF PARA-BENZENEDITHIOL AS DETERMINED BY ELECTRON-DIFFRACTION

ABINITIO STUDY OF THE VIBRATIONAL-SPECTRA OF N9-H AND N7-H ADENINE AND 9-METHYLADENINE