Published in Angew Chem Int Ed Engl on November 17, 2014
Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data. J Chem Inf Model (2007) 2.79
Chemical markup, XML, and the World Wide Web. 4. CML schema. J Chem Inf Comput Sci (2003) 2.34
The nature of the fourth bond in the ground state of C2: the quadruple bond conundrum. Chemistry (2014) 1.97
One molecule, two atoms, three views, four bonds? Angew Chem Int Ed Engl (2013) 1.95
Enhancement of the chemical semantic web through the use of InChI identifiers. Org Biomol Chem (2005) 1.77
Representation and use of chemistry in the global electronic age. Org Biomol Chem (2004) 1.65
Quadruple bonding in C2 and analogous eight-valence electron species. Nat Chem (2012) 1.62
Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions. J Chem Inf Model (2006) 1.58
Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language. J Chem Inf Model (2008) 1.51
SPECTRa: the deposition and validation of primary chemistry research data in digital repositories. J Chem Inf Model (2008) 1.48
Epidithiodiketopiperazines block the interaction between hypoxia-inducible factor-1alpha (HIF-1alpha) and p300 by a zinc ejection mechanism. J Biol Chem (2009) 1.44
A computational evaluation of the evidence for the synthesis of 1,3-dimethylcyclobutadiene in the solid state and aqueous solution. Chemistry (2013) 1.39
Chemical markup, XML, and the World Wide Web. 5. Applications of chemical metadata in RSS aggregators. J Chem Inf Comput Sci (2004) 1.37
Chemistry in bioinformatics. BMC Bioinformatics (2005) 1.18
The vicinal difluoro motif: The synthesis and conformation of erythro- and threo- diastereoisomers of 1,2-difluorodiphenylethanes, 2,3-difluorosuccinic acids and their derivatives. Beilstein J Org Chem (2006) 1.17
CML: Evolution and design. J Cheminform (2011) 1.10
Digital data repositories in chemistry and their integration with journals and electronic notebooks. J Chem Inf Model (2014) 1.05
Hierarchical assembly of the siliceous skeletal lattice of the hexactinellid sponge Euplectella aspergillum. J Struct Biol (2006) 1.03
On the determination of the stereochemistry of semisynthetic natural product analogues using chiroptical spectroscopy: desulfurization of epidithiodioxopiperazine fungal metabolites. Chemistry (2011) 0.98
PTEN loss promotes rasHa-mediated papillomatogenesis via dual up-regulation of AKT activity and cell cycle deregulation but malignant conversion proceeds via PTEN-associated pathways. Cancer Res (2006) 0.98
Long-term stability of human genomic and human papillomavirus DNA stored in BD SurePath and Hologic PreservCyt liquid-based cytology media. J Clin Microbiol (2013) 0.95
A study in mauve: unveiling Perkin's dye in historic samples. Chemistry (2008) 0.92
SemanticEye: a semantic web application to rationalize and enhance chemical electronic publishing. J Chem Inf Model (2006) 0.92
Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands. Chem Commun (Camb) (2004) 0.92
PYK2 expression and phosphorylation increases in pressure overload-induced left ventricular hypertrophy. Am J Physiol Heart Circ Physiol (2002) 0.91
A tricyclic aromatic isomer of hexasilabenzene. Science (2010) 0.91
A computational investigation of the structure of polythiocyanogen. Dalton Trans (2008) 0.90
Communication and re-use of chemical information in bioscience. BMC Bioinformatics (2005) 0.89
Crocker, not Armit and Robinson, begat the six aromatic electrons. Chem Rev (2005) 0.87
Synthetic, structural, mechanistic, and computational studies on single-site beta-diketiminate tin(II) initiators for the polymerization of rac-lactide. J Am Chem Soc (2006) 0.86
Structural reassignment of obtusallenes V, VI, and VII by GIAO-based density functional prediction. J Nat Prod (2008) 0.86
Successful computational modeling of isobornyl chloride ion-pair mechanisms. J Org Chem (2010) 0.86
N-heterocyclic carbene coordinated neutral and cationic heavier cyclopropylidenes. Angew Chem Int Ed Engl (2014) 0.83
A global resource for computational chemistry. J Mol Model (2005) 0.82
A computational analysis of the ring-opening polymerization of rac-lactide initiated by single-site beta-diketiminate metal complexes: defining the mechanistic pathway and the origin of stereocontrol. J Am Chem Soc (2005) 0.81
The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B. Org Biomol Chem (2013) 0.81
Silver-catalysed enantioselective addition of O-H and N-H bonds to allenes: a new model for stereoselectivity based on noncovalent interactions. Chemistry (2012) 0.81
Contraction and expansion of the silicon scaffold of stable Si6R6 isomers. J Am Chem Soc (2012) 0.80
Thioepoxide formation by ring closure of allylthiyl radicals--a novel rearrangement of allylic thionitrites. Chem Commun (Camb) (2002) 0.80
Correlation of metal spin state with catalytic reactivity: polymerizations mediated by alpha-diimine-iron complexes. Angew Chem Int Ed Engl (2006) 0.80
The geometry and electronic topology of higher-order charged Möbius annulenes. J Phys Chem A (2009) 0.79
Aromaticity rules for cycles with arbitrary numbers of half-twists. Phys Chem Chem Phys (2006) 0.79
A stable derivative of the global minimum on the Si6H6 potential energy surface. Angew Chem Int Ed Engl (2011) 0.79
Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst. Org Lett (2011) 0.78
Rapid access to polycyclic indolines related to the stephacidin alkaloids using a radical cascade. Chem Commun (Camb) (2011) 0.78
Stereoselective synthesis of cis- and trans-2,3-disubstituted tetrahydrofurans via oxonium-prins cyclization: access to the cordigol ring system. Org Lett (2010) 0.78
Delineating origins of stereocontrol in asymmetric Pd-catalyzed alpha-hydroxylation of 1,3-ketoesters. J Org Chem (2010) 0.78
Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene. Nat Chem (2013) 0.78
Gold(I) mediated rearrangement of [7]-helicene to give a benzo[cd]pyrenium cation embedded in a chiral framework. Chem Commun (Camb) (2013) 0.78
Intrinsically chiral aromaticity. Rules incorporating linking number, twist, and writhe for higher-twist Möbius annulenes. J Am Chem Soc (2008) 0.78
Noncovalent Lone Pair⋅⋅⋅(No-π!)-Heteroarene Interactions: The Janus-Faced Hydroxy Group. Angew Chem Int Ed Engl (2015) 0.77
Ring currents in the dismutational aromatic Si6R6. Angew Chem Int Ed Engl (2010) 0.77
Verification of stereospecific dyotropic racemisation of enantiopure D and L-1,2-dibromo-1,2-diphenylethane in non-polar media. Chem Commun (Camb) (2012) 0.77
Chiral aromaticities. AIM and ELF critical point and NICS magnetic analyses of Mobius-type aromaticity and homoaromaticity in lemniscular annulenes and hexaphyrins. J Org Chem (2008) 0.77
The generation and trapping of organozinc carbenoids from N-diethoxymethyl amides: a new amidocyclopropanation reaction. Chem Commun (Camb) (2003) 0.77
Irreversible endo-selective diels-alder reactions of substituted alkoxyfurans: a general synthesis of endo-cantharimides. Chemistry (2015) 0.77
Controlling electron emission from the photoactive yellow protein chromophore by substitution at the coumaric acid group. Phys Chem Chem Phys (2016) 0.77
SPECTRa-T: machine-based data extraction and semantic searching of chemistry e-theses. J Chem Inf Model (2010) 0.76
Binding site optimisation for artificial enzymes by diffusion NMR of small molecules. Chemistry (2003) 0.76
N-heteroatom substitution effect in 3-aza-cope rearrangements. Chem Cent J (2013) 0.75
Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms. J Org Chem (2013) 0.75
A response to the critical comments on "One molecule, two atoms, three views, four bonds?". Angew Chem Int Ed Engl (2013) 0.75
The structure of tagetitoxin. Org Biomol Chem (2015) 0.75
Synthesis of the reported structure of piperazirum using a nitro-Mannich reaction as the key stereochemical determining step. Beilstein J Org Chem (2013) 0.75
Semantic physical science. J Cheminform (2012) 0.75
A rapid route to aminocyclopropanes via carbamatoorganozinc carbenoids. Angew Chem Int Ed Engl (2013) 0.75
Studies in sigmatropic rearrangements of N-prenylindole derivatives--a formal enantiomerically pure synthesis of tryprostatin B. Org Biomol Chem (2006) 0.75
Synthesis of the bicyclic core of tagetitoxin. Chem Commun (Camb) (2006) 0.75
Concise synthesis of bicyclic aminals and their evaluation as precursors to the sarain core. Org Biomol Chem (2008) 0.75
Selective conversion of alcohols into alkyl iodides using a thioiminium salt. J Org Chem (2009) 0.75
A ring expansion reaction of 1,3-oxathiolanes. Chem Commun (Camb) (2002) 0.75
Coordination equilibria between seven- and five-coordinate iron(II) complexes. Inorg Chem (2013) 0.75
Unusual regiodivergence in metal-catalysed intramolecular cyclisation of gamma-allenols. Chem Commun (Camb) (2009) 0.75
Low-valent Ge(2) and Ge(4) species trapped by N-heterocyclic gallylene. Angew Chem Int Ed Engl (2012) 0.75
Reversal of facial selectivity in a thia-Claisen rearrangement by incorporation of a vinylic bromine substituent. Org Biomol Chem (2013) 0.75
The aromaticity and Möbius characteristics of carbeno[8]heteroannulenes and triplet state annulenes. Chem Commun (Camb) (2002) 0.75
Synthesis of the tagetitoxin core via photo-Stevens rearrangement. Org Lett (2008) 0.75
Foliacenes: ab initio modeling of metallocomplexes exhibiting a unique form of 16-electron, metal-induced aromaticity. J Am Chem Soc (2004) 0.75
Noncovalent Interactions of π Systems with Sulfur - The Atomic Chameleon of Molecular Recognition. Angew Chem Int Ed Engl (2017) 0.75
Inter- and intramolecular reactions of 1-deoxy-1-thio-1,6-anhydrosugars with α-diazoesters: synthesis of the tagetitoxin core by photochemical ylide rearrangement. Org Biomol Chem (2012) 0.75
A novel isocyanide based three component reaction. Chem Commun (Camb) (2003) 0.75
A direct and efficient preparation of 1-phenyltetrazol-5-yl sulfides from alcohols. Org Biomol Chem (2010) 0.75
Enantiomerically pure alleno-acetylenic macrocycles: synthesis, solid-state structures, chiroptical properties, and electron localization function analysis. Chemistry (2010) 0.75
Möbius bis and tris-spiroaromatic systems. Org Biomol Chem (2003) 0.75
Erratum: A data-oriented approach to making new molecules as a student experiment: Artificial intelligence-enabling FAIR publication of NMR data for organic esters. Magn Reson Chem (2022) 0.75
Taming the carboxyl group for directed carbometalation: observations on the use of anions, dianions and ester enolates. Chemistry (2014) 0.75
The Cp*Si+ cation as a stoichiometric source of silicon. Chem Commun (Camb) (2012) 0.75
A multiply functionalized base-coordinated Ge(II) compound and its reversible dimerization to the digermene. Angew Chem Int Ed Engl (2014) 0.75
Synthesis of vinylogous carbamates by rhodium(II)-catalyzed olefination of tertiary formamides with a silylated diazoester. Org Lett (2005) 0.75
Conversion of alcohols to phosphorothiolates using a thioiminium salt as coupling agent. J Org Chem (2017) 0.75
A Hückel theory perspective on Möbius aromaticity. Org Lett (2013) 0.75
Probing weak non-covalent interactions in solution and solid states with designed molecules. Phys Chem Chem Phys (2008) 0.75
Diastereoselective reactions in glycine templates containing an ent-ardeemin fragment. J Org Chem (2002) 0.75
Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide--Favorskii manifold. Chem Commun (Camb) (2013) 0.75