Binding energies of organic charge-transfer complexes calculated by first-principles methods

Rearrangements of 2-nitrobenzyl compounds. 2. Substituent effects on the reactions of the quinonoid intermediates

Oxidation at a dimolybdenum(V) sulfur bridge. Formation of SO and SO2 bridges. Facile extrusion of SO from the SO2 bridge

Preparation and crystal structures of a series of titanium(III) 9-BBN hydroborate complexes containing Ti center dot center dot center dot H agostic interactions

A theoretical investigation of excited-state acidity of phenol and cyanophenols

ELECTRON DIFRACTION AND MOLECULAR-STRUCTURE - VIBRATIONAL EFFECT IN THE MOLECULAR-STRUCTURE

MOLECULAR MECHANICS (MM2) PARAMETERS FOR DIVINYL ETHERS AND AROMATIC HALIDE DERIVATIVES

Charge-transfer adducts between donors containing chalcogens (S and Se) and di-iodine: solution studies

peri-Interactions in naphthalenes, 12[1]. The significance of linear and T-shaped arrangements in peri-substituted naphthalenes

Dipole moments of partially bound Lewis acid-base adducts

ON THE INCIDENCE OF INTERNAL ION-PAIR RETURN DURING SOLVOLYSIS OF SEC-ALKYL BENZENESULFONATES

Trifunctional phosphane ligands and their application in the synthesis of novel cage-structured platinacyclophanes and trinuclear chain-like platinacycles by self-assembly

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

STUDY OF AROMATICITY IN PHOSPHORUS ANALOGS OF THE CYCLOPENTADIENYL ANION

BIOLOGICAL RESPONSE AS A FUNCTION OF CONFORMATION, CHIRALITY, AND ELECTRONIC CHARACTERISTICS - A CATECHOLAMINE STUDY

CATIONIC LEAD(II) HALIDE-COMPLEXES IN MOLTEN ALKALI-METAL NITRATE .3. THE STRUCTURE OF PB2X3+ AND THE SOLVATED PB-II ION, DETERMINED BY LIQUID X-RAY-SCATTERING AND RAMAN-SPECTROSCOPY

Computational study of hydrogen-bonded complexes between the most stable tautomers of glycine and uracil

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

A computational study of conformers and rotamers of 3-substituted equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides)

Early responses to Avery et al.'s paper on DNA as hereditary material

Bonding analysis using localized relativistic orbitals: Water, the ultrarelativistic case and the heavy homologues H2X (X=Te, Po, eka-Po)

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

Orientation in physical reasoning: Determining the edge that would be formed by two surfaces

A computational study of 4-alky1 equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides)

p-Benzyne derivatives that have exceptionally small singlet-triplet gaps and even a triplet ground state

Non-bonded interactions involving oxygen in 2-nitrobenzenethiolato compounds: Structures of 2, 4-(O2N)(2)C6H3SX (X = NMe2 or C6H4NO2-2) and Ph3MSC6H4NO2-2 (M = Ge, Sn or Pb)

Energetics of intramolecular hydrogen bonding in di-substituted benzenes by the ortho-para method

ANOMERIC EFFECTS INVOLVING SILICON CENTERS - SILANOLS

DETERMINANTS OF THE PERCEPTION OF ROTATIONAL MOTION - ORIENTATION OF THE MOTION TO THE OBJECT AND TO THE ENVIRONMENT

Placing science into its human context: Using scientific autobiography to teach chemistry

MOLECULAR VIBRATIONS OF COMPLEX WITH TRIGONAL LIGANDS .11. NORMAL COORDINATE ANALYSIS OF [PT(NH3)4]2+

SELECTIVE SYNTHESIS OF 4-MEMBERED AND 5-MEMBERED METALLAHETEROCYCLES VIA C-C BOND-FORMING REACTIONS OF ETA-2-IMINOACYL AND ETA-3-1-AZAALLYL COMPLEXES OF TUNGSTEN WITH ALKYL ISOCYANIDES

Potential functions of internal rotation around the C(sp)2-X bonds and intermolecular interactions in the compounds CH2=CHXCH3 (X = O, S, Se)

THE CRYSTAL-STRUCTURE OF 4-NITROBENZYL TELLUROCYANATE, 4-NITROBENZYL SELENOCYANATE, 4-NITROBENZYL THIOCYANATE AND BENZYL SELENOCYANATE

ELECTRONIC QUENCHING RATE CONSTANTS FOR XE(P-3(2), AR(P-3(0), AND AR(P-3(2) ATOMS BY FLUORINE-CONTAINING MOLECULES, SIH4, SIH2CL2, SIHCL3, AND SICL4

Molecular mechanics studies (MM4) of sulfides and mercaptans

Solid memory: Structural preferences in group 2 dihalide monomers, dimers, and solids

SYNTHESIS AND CHARACTERIZATION OF RIGID BIDENTATE NITROGEN LIGANDS AND SOME EXAMPLES OF COORDINATION TO DIVALENT PALLADIUM - X-RAY CRYSTAL-STRUCTURES OF BIS(P-TOLYLIMINO)ACENAPHTHENE AND METHYLCHLORO[BIS(O, O'- DIISOPROPYLPHENYL-IMINO)ACENAPHTHENE]PALLADIUM(II)

Tellurium compounds: Selective inhibition of cysteine proteases and model reaction with thiols

Success and failure of polarized-ion models: Bending and atomization energy of groups 2 and 12 dihalides

FACTORS INFLUENCING THE C=N STRETCHING FREQUENCY IN NEUTRAL AND PROTONATED SCHIFF-BASES

GERMANIUM-GERMANIUM MULTIPLE BONDS - THE SINGLET ELECTRONIC GROUND-STATE OF GE2H2

Calorimetric and computational study of 1, 3,5-trithiane

Multiple Stille cross-coupling reactions with tribenzotriquinacenes and fenestrindanes - En route to extended convex/concave and saddle-shaped carbon frameworks

THE X-RAY-DIFFRACTION ANALYSIS OF (E)-BUTENE-1, 4-DIYL AND (Z)-2-BUTENE-1,4-DIYL DITHIOCYANATE

IRREDUCIBLE TENSORS OF THE POINT GROUPS WITH FIVEFOLD ROTATIONAL AXES

THEORETICAL-STUDIES OF THE 2-HYDROXYBENZOIC AND 4-HYDROXYBENZOIC ACIDS WITH COMPETING HYDROGEN-BONDS IN THE GAS-PHASE AND AQUEOUS-SOLUTION

BIS(TRIMETHYLSILYL)AMIDES AND BIS(TRIMETHYLSILYL)METHANIDES OF YTTRIUM - MOLECULAR-STRUCTURES OF TRIS(DIETHYLETHER-O)LITHIUM-(MU-CHLORO)- TRIS[BIS(TRIMETHYLSILYL)METHYL]YTTRIATE, SOLVENT-FREE YTTRIUM TRIS[BIS(TRIMETHYLSILYL)AMIDE] AS WELL AS THE BIS(BENZONITRILE) COMPLEX

Ab initio studies of transition-metal compounds: The nature of the chemical bond to a transition metal

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