Title: Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition error.
Journal: The Journal of chemical physics 20121007
Title: Reactivity of biarylazacyclooctynones in copper-free click chemistry.
Journal: Journal of the American Chemical Society 20120606
Title: The interplay of metal and supporting ligand in labile coordination to pincer complexes of Ag(I).
Journal: Dalton transactions (Cambridge, England : 2003) 20120428
Title: Near-threshold shape resonance in the photoionization of 2-butyne.
Journal: The Journal of chemical physics 20120421
Title: Alternative reaction pathways in domino reactions of hydrazinediidozirconium complexes with alkynes.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120326
Title: Gas-phase reactions of aryl radicals with 2-butyne: experimental and theoretical investigation employing the N-methyl-pyridinium-4-yl radical cation.
Journal: Physical chemistry chemical physics : PCCP 20120221
Title: P=C bonds as building blocks for three- and four-membered heterocyclic cations: synthesis, structures and mechanistic studies.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120206
Title: Selective transition state stabilization via hyperconjugative and conjugative assistance: stereoelectronic concept for copper-free click chemistry.
Journal: The Journal of organic chemistry 20120106
Title: The SUN protein Mps3 is required for spindle pole body insertion into the nuclear membrane and nuclear envelope homeostasis.
Journal: PLoS genetics 20111101
Title: Syntheses of α-pyrones using gold-catalyzed coupling reactions.
Journal: Organic letters 20110603
Title: Reactions of C2H with 1- and 2-butynes: an ab initio/RRKM study of the reaction mechanism and product branching ratios.
Journal: The journal of physical chemistry. A 20110324
Title: Elementary reactions of boron atoms with hydrocarbons-toward the formation of organo-boron compounds.
Journal: Chemical reviews 20100908
Title: Practical new silyloxy-based alkyne metathesis catalysts with optimized activity and selectivity profiles.
Journal: Journal of the American Chemical Society 20100818
Title: Cationic gemini surfactants as pseudostationary phases in micellar electrokinetic chromatography. Part I: effect of head group.
Journal: Journal of chromatography. A 20100806
Title: Preparation of imidazolin-2-iminato molybdenum and tungsten benzylidyne complexes: a new pathway to highly active alkyne metathesis catalysts.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100802
Title: Electronic structure and reactivity of a [1],[1]disilamolybdenocenophane.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100308
Title: (E)-1,1,4,4-Tetra-phenyl-but-2-yne-1,4-diol.
Journal: Acta crystallographica. Section E, Structure reports online 20100301
Title: {2 + 2} Cycloaddition of alkyne with titanium-imido complex: theoretical study of determining factor of reactivity and regioselectivity.
Journal: The journal of physical chemistry. A 20100114
Title: The gas-phase reaction between silylene and 2-butyne: kinetics, isotope studies, pressure dependence studies and quantum chemical calculations.
Journal: Physical chemistry chemical physics : PCCP 20090714
Title: Time-resolved gas-phase kinetic study of the germylene addition reaction, GeH2+CH3C[triple bond, length as m-dash]CCH3.
Journal: Physical chemistry chemical physics : PCCP 20090514
Title: Elementary reactions and their role in gas-phase prebiotic chemistry.
Journal: International journal of molecular sciences 20090501
Title: Direct vinylation of alcohols or aldehydes employing alkynes as vinyl donors: a ruthenium catalyzed C-C bond-forming transfer hydrogenation.
Journal: Journal of the American Chemical Society 20090218
Title: Modeling high pressure reactivity in unsaturated systems: application to dimethylacetylene.
Journal: Journal of computational chemistry 20090201
Title: Four-coordinate Mo(II) as (silox)2Mo(PMe3)2 and its W(IV) congener (silox)2HW(eta2-CH2PMe2)(PMe3) (silox = tBu3SiO).
Journal: Inorganic chemistry 20081117
Title: Reduction of an eta2-iminoacyl ligand to eta2-iminium enabled by adjacent carbon monoxide ligand replacement with a variable electron donor alkyne ligand in a cationic Tungsten(II) bis(acetylacetonate) complex.
Journal: Inorganic chemistry 20081006
Title: Synthesis, reactivity, and electronic structure of [n]vanadoarenophanes: an experimental and theoretical study.
Journal: Journal of the American Chemical Society 20080827
Title: Tropospheric oxidation of ethyne and But-2-yne. 1. Theoretical mechanistic study.
Journal: The journal of physical chemistry. A 20080424
Title: Oxidation of ethyne and But-2-yne. 2. Master equation simulations.
Journal: The journal of physical chemistry. A 20080424
Title: C-C versus C-H bond activation of alkynes by early second-row transition metal atoms.
Journal: The journal of physical chemistry. A 20080410
Title: Mechanistic studies of olefin and alkyne trimerization with chromium catalysts: deuterium labeling and studies of regiochemistry using a model chromacyclopentane complex.
Journal: Journal of the American Chemical Society 20071121
Title: Alkyne substrate interaction within the nitrogenase MoFe protein.
Journal: Journal of inorganic biochemistry 20071101
Title: Determination of single photon ionization cross sections for quantitative analysis of complex organic mixtures.
Journal: Analytical and bioanalytical chemistry 20071101
Title: Oxidative reactions of the Mo(IV) dialkyl complex [{(3-CF3C6H4NCH2CH2)2NMe}Mo(CH2SiMe3)2].
Journal: Chemistry, an Asian journal 20070702
Title: Influence of the oxidizing species on the reactivity of iron-based Bimetallic reductants.
Journal: Environmental science & technology 20070515
Title: The participation of alkynylboronates in inverse electron demand [4 + 2] cycloadditions: a mechanistic study.
Journal: Journal of the American Chemical Society 20070307
Title: Terminal stibinidene ligands. Generation of CpCp*Hf=Sb(dmp) and trapping reactions with PMe3 and 2-butyne.
Journal: Chemical communications (Cambridge, England) 20061014
Title: Mechanistic insights into NO3* induced self-terminating radical oxygenations, part 1: a computational study on NO3* and its addition to alkynes.
Journal: The journal of physical chemistry. A 20060216
Title: Probing the intermediates of halogen addition to alkynes: bridged halonium versus open halovinyl cation; a theoretical study.
Journal: The Journal of organic chemistry 20051111
Title: A DFT investigation of alkyne bromination reactions.
Journal: The Journal of organic chemistry 20051111
Title: A study of the unimolecular dissociation of the 2-buten-2-yl radical via the 193 nm photodissociation of 2-chloro-2-butene.
Journal: The journal of physical chemistry. A 20050728
Title: Unusual reactivity of tris(pyrazolyl)borate zirconium benzyl complexes.
Journal: Journal of the American Chemical Society 20050706
Title: Adducts of thianthrene- and phenoxathiin cation radical salts with symmetrical alkynes. Structure and formation of cumulenes on alumina leading to alpha-diketones, alpha-hydroxyalkynes, and alpha-acetamidoalkynes.
Journal: The Journal of organic chemistry 20050513
Title: Short-time Fourier transform analysis of ab initio molecular dynamics simulation: collision reaction between CN and C4H6.
Journal: Journal of computational chemistry 20050415
Title: Formation of a carbon-carbon triple bond by coupling reactions in aqueous solution.
Journal: Science (New York, N.Y.) 20050408
Title: UV-absorption spectra of the radical transients generated from the 193-nm photolysis of allene, propyne, and 2-butyne.
Journal: The journal of physical chemistry. A 20050324
Title: Mechanistic studies of the pyrolysis of 1,3-butadiene, 1,3-butadiene-1,1,4,4-d4, 1,2-butadiene, and 2-butyne by supersonic jet/photoionization mass spectrometry.
Journal: The journal of physical chemistry. A 20050317
Title: Kinetics and mechanistic studies of the atmospheric oxidation of alkynes.
Journal: The journal of physical chemistry. A 20050310
Title: Phase transitions and hindered rotation in dimethylacetylene at high pressures probed by Raman spectroscopy.
Journal: The Journal of chemical physics 20041208
Title: [(E)- and [(Z)-2-[alpha,beta-bis(methoxycarbonyl)vinyl]cyclopentadien-1-ylidene]triphenylphosphorane.
Journal: Acta crystallographica. Section C, Crystal structure communications 20040501
Title: Reactions of a platinum(III) dimeric complex with alkynes in water: novel approach to alpha-aminoketone, alpha-iminoketone, and alpha,beta-diimine via ketonyl-Pt(III) dinuclear complexes.
Journal: Journal of the American Chemical Society 20040303
Title: Isolation of a stable 1-iridabicyclo[3.2.0]hepta-1,3,6-triene and its reversible transformation into an iridacycloheptatriene.
Journal: Journal of the American Chemical Society 20040218
Title: Synthesis and reactions of terminal osmium and ruthenium complexed phosphinidenes [(eta6-Ar)(L)Md=PMes*].
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20030523
Title: Coordination of alkenes and alkynes to a cationic d(0) zirconocene alkoxide complex.
Journal: Journal of the American Chemical Society 20030319
Title: (Eta2-alkyne)methyl(dioxo)rhenium complexes as aldehyde-olefination catalysts.
Journal: Journal of the American Chemical Society 20030305
Title: An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20030203
Title: Kinetics of 1,1,1-trichloroethane transformation by iron sulfide and a methanogenic consortium.
Journal: Environmental science & technology 20021101
Title: Reaction of 2-butyne with nido-[1,2-(Cp*RuH)2B3H7]: improved kinetic control leads to metallacarboranes of novel composition and structure.
Journal: Angewandte Chemie (International ed. in English) 20020715
Title: Synthesis and chemistry of zwitterionic tantala-3-boratacyclopentenes: olefin-like reactivity of a borataalkene ligand.
Journal: Journal of the American Chemical Society 20020515
Title: The formation of nitriles in hydrocarbon-rich atmospheres of planets and their satellites: laboratory investigations by the crossed molecular beam technique.
Journal: Accounts of chemical research 20010901
Title: Photochemical generation and matrix-isolation detection of dimethylvinylidene.
Journal: The Journal of organic chemistry 20010112
