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

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

INFRARED DIODE-LASER SPECTROSCOPY OF THE ALLYL RADICAL - THE NU-11 BAND

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

MICROWAVE SPECTROSCOPY OF HYDROQUINONE - THE ROTATIONAL SPECTRUM OF THE CIS CONFORMER

DENSITY-FUNCTIONAL METHODS GIVE ACCURATE VIBRATIONAL FREQUENCIES AND SPIN-DENSITIES FOR PHENOXYL RADICAL

INFRARED-LASER SPECTROSCOPY OF URACIL IN A PULSED SLIT JET

Classical and approximate quantum investigations of vibrational energy transfer in S-1 p-difluorobenzene

Pump-probe diffraction imaging of vibrational wave functions

UV photodissociation dynamics of allyl radical by photofragment translational spectroscopy

High-resolution infrared spectroscopy of jet-cooled allyl radical (CH2-CH-CH2): In-phase (nu(1)) and out-of-phase (nu(13)) antisymmetric CH2 stretching vibrations

The diffraction signatures of individual vibrational modes in polyatomic molecules

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

Dimers of alkaline earth metal halide radicals, (MX)(2) (M=Be, Mg, Ca; X=F, Cl): A theoretical study

Hydrogen bonding in benzonitrile-water complexes

Two-photon resonant ionization spectroscopy of the allyl-h(5) and allyl-d(5) radicals: Rydberg states and ionization energies

High-pressure spectroscopic probe of hydrophobic hydration of the methyl groups in dimethyl sulfoxide

Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of p-, m-, and o-difluorobenzenes. Ionization energies and vibrational frequencies and structures of the cations

The electronic spectra of aryl olefins: A theoretical study of phenylacetylene

Nitrobenzene rotational energy barrier: A survey of several ab initio methods

Double ionization of fluorinated benzenes: Hole localization and delocalization effects

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

Large Raman-scattering activities for the low-frequency modes of substituted benzenes: Induced polarizability and stereo-specific ring-substituent interactions

Ultrafast electron diffraction: Excited state structures and chemistries of aromatic carbonyls

Molecular dynamics of polystyrene solutions in microwave fields

A clue to the diffuse structure in ultraviolet spectra of the GeCl2 A-X transition

Evidence of the formation and conversion of unstable thionyl isocyanate: Gas-phase spectroscopic studies

CRYSTALLOGRAPHIC STUDIES AND PHYSICOCHEMICAL PROPERTIES OF PI-ELECTRON SYSTEMS .5. SUBSTITUENT EFFECT ON THE GEOMETRY OF THE BENZENE-RING IN BENZENE-DERIVATIVES

Conformational strains of (Z, Z)-, (E,Z)- and (E,E)-1,2,5,6-tetrathiacycloocta-3,7-dienes based on ab initio molecular orbital calculations

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

SUBLIMATION THERMODYNAMICS OF TUNGSTEN TRIOXIDE

THERMODYNAMIC PROPERTIES OF HEPTACYCLOTETRADECANE C14H16

Standard molar enthalpies of formation, vapour pressures, and enthalpies of sublimation of 2-chloro-4-nitroaniline and 2-chloro-5-nitroaniline

13TH ANNIVERSARY OF THE RETENTION INDEX ACCORDING TO KOVATS IN GAS-LIQUID CHROMATOGRAPHY

Further consideration of the gas-liquid chromatographic method for determining the intramolecular hydrogen bond energies with the example of 2-substituted phenols

A STUDY BY MOLECULAR MECHANICS OF THE GEOMETRIC ISOMERS OF BENZENE HEXACHLORIDE, BENZENE TETRACHLORIDE, AND NAPHTHALENE TETRACHLORIDE

THE EFFECT OF INCLUDING POLARIZATION FUNCTIONS ON THE GEOMETRICAL PARAMETERS CALCULATED FOR BENZENE, FLUOROBENZENE AND CYANOBENZENE

CONFORMATIONAL DYNAMICS OF 9, 9-DIMETHYL-1,5-DIHETERO-SPIRO [5.5] UNDECANES BY MOLECULAR MECHANICS CALCULATIONS - A 3-DIMENSIONAL TOPOLOGICAL APPROACH

THE GRADIENT-OPTIMIZED GEOMETRY OF HALOPERIDOL AT THE 4-21G LEVEL

AN IMPROVED EMPIRICAL FORCE-FIELD FOR SATURATED-HYDROCARBONS

MOLECULAR MECHANICS CALCULATIONS (MM3) ON SULFONES

CONFORMATION ENERGY AROUND THE N(SP(3))-O SINGLE BOND

UNCOUPLED HARTREE-FOCK CALCULATIONS OF THE POLARIZABILITY AND HYPERPOLARIZABILITIES OF NITROPHENOLS

POTENTIAL-ENERGY FUNCTION FOR CATION-PEPTIDE INTERACTIONS - AN AB-INITIO STUDY

A comparison of conformational energies calculated by several molecular mechanics methods

Molecular mechanics studies (MM4) of sulfides and mercaptans

Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules

A computational study of conformational interconversions in 1, 4-dithiacyclohexane (1,4-dithiane)

Theoretical studies on the role of pi-electron delocalization in determining the conformation of N-benzylideneaniline with three types of LMO basis sets

MU-OXO HETEROBINUCLEAR COMPLEXES OBTAINED BY DONOR-ACCEPTOR REACTIONS WITH THE VANADYL GROUP