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Chemical shifts in proteins: a shielding trajectory analysis of the fluorine nuclear magnetic resonance spectrum of the Escherichia coli galactose binding protein using a multipole shielding polarizability-local reaction field-molecular dynamics approach
On-line capillary electrophoresis with Fourier transform ion cyclotron resonance mass spectrometry
Solution structures of tert-butyllithium/lithium tert-butoxide mixed aggregates. Observation of a nonrandom fluxional exchange process in hexameric organolithium compounds
Right-handed triplex formed between peptide nucleic acid PNA-T8 and poly(dA) shown by linear and circular dichroism spectroscopy
Controlling factors of stepwise versus concerted reductive cleavages. Illustrative examples in the electrochemical reductive breaking of nitrogen-halogen bonds in aromatic N-halosultams
Transferrin: the role of conformational changes in iron removal by chelators
Intramolecular electron transfer in cytochrome b5 labeled with ruthenium(II) polypyridine complexes: rate measurements in the Marcus inverted region
Polarization-corrected electrostatic potentials of aromatic compounds
Preparation of monomeric (Me5C5)2VO and (Me5C5)2Ti(O)(L) and their decomposition to (Me5C5)4M4(.mu.-O)6
Catalysis of carbamate hydrolysis by vancomycin and semisynthetic derivatives
Synthesis and thermotropic properties of macrocyclic lipids related to archaebacterial membranes
Mechanism of rearrangement of an allylvinylrhenium complex to an (allyl vinyl ketone)rhenium complex: role of concerted organometallic reactions in avoiding high-energy coordinatively unsaturated intermediates
Lactoferrin: the role of conformational changes in its iron binding and release
Ge2H2: a germanium-containing molecule with a low-lying monobridged equilibrium geometry
O-Nitrosobis(trifluoromethyl)hydroxylamine: unexpected conformational properties and an unusually long (CF3)2NO-NO bond. A combined study of the gaseous and solid states
High-valent transition metal chemistry. Moessbauer and EPR studies of high-spin (S = 2) iron(IV) and intermediate-spin (S = 3/2) iron(III) complexes with a macrocyclic tetraamido-N ligand
A comprehensive description of the free energy of an intramolecular hydrogen bond as a function of solvation: NMR study
Structure and dynamics of cytochrome c in nonaqueous solvents by 2D NH-exchange NMR spectroscopy
Metallo-carbohedrenes: chromium, iron, and molybdenum analogs
Directionality of the cation-.pi. effect: a charge-mediated size selectivity in binding
Total synthesis of the novel benzopentathiepin varacinium trifluoroacetate: the viability of "varacin-free base"
A reaction cascade leading to 1,6-didehydro[10]annulene .fwdarw. 1,5-dehydronaphthalene cyclization initiated by thiol addition
Metalation of fullerene (C60) with pentacarbonylrhenium radicals. Reversible formation of C60{Re(CO)5}2
Carboracycles: a family of novel macrocyclic carborane derivatives
Coordination polymerization of ethylene by single-component rhodium catalysts in protic solvents
Reaction of arylcarbenes with methanol: triplet-state reactivity or spin-state equilibrium as a moving target?
Electronic spectra and photochemistry of hexakis(trichlorostannyl)ruthenate(II)
Protein dynamics and solvation in aqueous and nonaqueous environments
Example of thermodynamic control in palladium-catalyzed allylic alkylation. Evidence for palladium-assisted allylic carbon-carbon bond cleavage
Total synthesis of the methanogenic cofactors methanofuran and methanofuran b
Methyl halide photochemistry on iodine-covered platinum(111)
Sulfmyoglobin derived from deuterohemin reconstituted protein. 2. Molecular and electronic structure determination of two extracted prosthetic groups
Experimental and theoretical exploration of the detailed mechanism of the rearrangement of barrelenes to semibullvalenes: diradical intermediates and transition states
DNA-binding studies of Cu(bcp)2+ and Cu(dmp)2+: DNA elongation without intercalation of Cu(bcp)2+
Direct observation of the tautomeric forms of histidine in nitrogen-15 NMR spectra at low temperatures. Comments on intramolecular hydrogen bonding and on tautomeric equilibrium constants
Bridge bonding of nitrogen to dinuclear transition metal systems
Synthesis and conformational properties of calix[6]arenes bridged on the lower rim: self-anchored rotaxanes
Water and the silica surface as studied by variable-temperature high-resolution proton NMR
Bent versus .sigma.-.pi. bonds in ethene and ethyne: the spin-coupled point of view
Some observations on the .pi.-complex of chlorine atoms with benzene
Multisite functionalized dendritic macromolecules prepared via metalation by superbases and reaction with electrophiles
Structural and lattice dynamical investigation of models for reactions in organic crystals
Stability of vanadium(II) aryloxides: synthesis and characterization of sterically protected, neutral and monomeric vanadium(II) aryloxides. Reactivity with the N-N bond of (trimethylsilyl)diazomethane
Silicon-hydrogen, silicon-silicon, and carbon-hydrogen bond activation by coordinatively unsaturated rhodium phosphine RhCl(PH3)2: ab initio molecular orbital study
Transition-metal-catalyzed strategies for the synthesis of neocarzinostatin chromophore and analogs: intramolecular delivery of palladium controls construction of the biologically relevant dienediyne core
Catalytic asymmetric synthesis of homoallylic alcohols
Molecular recognition of nucleobases via simultaneous first- and second-sphere coordination
Dimensionality of manganese(II)-copper(II) bimetallic compounds and design of molecular-based magnets
A curious artifact in the potential energy surface for the atomic fluorine + hydrogen fluoride abstraction reaction
Synthesis and structural study of the first 1-phosphaallyl anion
Regioselective photodimerization of enones in zeolites
Facile intramolecular carbolithiation reactions of alkylthio- and alkoxyacetylenes by stabilized carbanions. A novel strategy for the synthesis of functionalized carbocycles
A dramatic ligand effect on the relative reactivities of substituted alkenes with osmium tetroxide
Correction. Electron-transfer mechanism for aromatic nitration via the photoactivation of EDA (electron donor-acceptor) complexes. Direct relationship to electrophilic aromatic substitution. [Erratum to document cited in CA119(3):27564z]
Electronic structure calculations of hydrocarbon radical cations: a density functional study
Zirconium-assisted homologation of pyrrole to pyridine in the conversion of meso-octaethylporphyrinogen into a meso-octaethyltrispyrrolemonopyridine macrocycle with carbon monoxide and the structure of the first zirconyl complex
Inhibition of the HIV-1 protease by fullerene derivatives: model building studies and experimental verification
Facile .alpha./.beta. diastereomerism in organocobalt corrinoids. Synthesis, characterization, and thermolysis of .alpha.-neopentylcobalt corrinoids
Alkyl-, silyl-, and germyl-substituted thiolate, selenolate, and tellurolate derivatives and interconversion of silyl species by chalcogen metathesis
Vibrational circular dichroism of proteins in water solution
Diphenylcarbene cation: electronic and molecular structure
Enantioselective and diastereoselective catalysis of the Mukaiyama aldol reaction: ene mechanism in titanium-catalyzed aldol reactions of silyl enol ethers
Synthesis of a fullerene derivative for the inhibition of HIV enzymes
Synthesis of 2,3-disubstituted 1,3-butadienes from organotin precursors and butadienyllithium reagents: Diels-Alder reactivity
HIV inhibitory natural products. 11. Structure, absolute stereochemistry, and synthesis of conocurvone, a potent, novel HIV-inhibitory naphthoquinone trimer from a Conospermum sp
Vanadium(V)-protein model studies: solid-state and solution structure
The attractive quartet potential energy surface for the CH(a 4.SIGMA.-) + CO reaction: a role for the a 4A'' state of the ketenyl radical in combustion?
Ab initio IGLO MO studies of the conformational (pucker angle) and substituent dependencies of isotropic carbon-13 chemical shifts in 1-substituted cyclobutanes and bicyclo[1.1.1]pentanes
Gas-phase kinetics of neutral transition metal atoms: reactions of yttrium through molybdenum with alkanes and alkenes at 300 K
Biosynthesis of 3,6-dideoxyhexoses: new mechanistic reflections upon 2,6-dideoxy, 4,6-dideoxy, and amino sugar construction
Highly enantioselective hydroformylation of olefins catalyzed by new phosphine phosphite-rhodium(I) complexes
.alpha.-Alkylation and stereochemistry of cis- and trans-decahydroquinolines mediated by the formamidine and Boc activating groups. Synthesis of pumiliotoxin C
A new ternary zinc(II) complex with [12]aneN4 (=1,4,7,10-tetraazacyclododecane) and AZT (=3'-azido-3'-deoxythymidine). Highly selective recognition of thymidine and its related nucleosides by a zinc(II) macrocyclic tetraamine complex with novel complementary associations
Cyclic cis vicinal tertiary diamines: structure, conformational dynamics, and proton transfer
The accurate C2v phenonium and benzenonium ion structures confirmed by correlated GIAO-MP2 NMR chemical shift calculations
Selective formation of heterodimeric bis-bidentate aminothiol-oxometal complexes or rhenium(V)
Reactivities of radical cations: characterization of styrene radical cations and measurements of their reactivity toward nucleophiles
Novel formation of metalloporphyrin-oxo species in singlet oxygen oxidation of adamantylideneadamantane
Sulfmyoglobin derived from deuterohemin reconstituted protein. 1. Structure of the initial complex based on the mechanism of formation of subsequent reaction products
Intramolecular hydrogen transfer as the key step in the dissociation of hydroxyl radical adducts of (alkylthio)ethanol derivatives
Electrochemical and stereochemical investigation on the mechanism of the decay of 2-halo amide anions. The intermediacy of aziridinones
Zirconium-catalyzed ethylmagnesiation of hydroxylated terminal alkenes; a catalytic and diastereoselective carbon-carbon bond-forming reaction
Carbohydrates to carbocycles: synthesis of the densely functionalized carbocyclic core of tetrodotoxin by radical cyclization of an anhydro sugar precursor
Masthead
The out,out to out,in transition for 1,(n+2)-diazabicyclo[n.3.1]alkanes
A [3+2] cycloaddition and [4+3] cycloaddition approach to N-heterocycles via palladium-catalyzed TMM reactions with imines
2D NMR exchange spectroscopy with spy nuclei for thallium(III) cyano complexes in aqueous solution
Conformational analysis of glucopyranosylammonium ions: does the reverse anomeric effect exist?
Coupling and disproportionation reactions of alkyl iodides on a single-crystal copper surface: alkyl radicals versus metal alkyls
Porphyrin based self-assembled monolayer thin films: synthesis and characterization
Zirconium-catalyzed asymmetric carbomagnesation
1,1,3,3-Tetramethylindantellone, the first telluroketone stable in solution
Palladium-catalyzed iodine-zinc exchange reactions. A new palladium-mediated intramolecular carbozincation of alkenes
Ring-opening polymerization of [2]ferrocenophanes with a hydrocarbon bridge: synthesis of poly(ferrocenylethylenes)
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