Published in Chem Rev on October 01, 2005
Compactness aromaticity of atoms in molecules. Int J Mol Sci (2010) 1.20
Aromatic-aromatic interactions in structures of proteins and protein-DNA complexes: a study based on orientation and distance. Bioinformation (2012) 0.87
Solvent impact on the aromaticity of benzene analogues: implicit versus explicit solvent approach. J Mol Model (2009) 0.78
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
A hierarchy of homodesmotic reactions for thermochemistry. J Am Chem Soc (2009) 1.77
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
Which NICS aromaticity index for planar pi rings is best? Org Lett (2006) 1.45
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
Monocyclic boron carbonyls: novel aromatic compounds. J Am Chem Soc (2003) 0.99
Carbene-stabilized diphosphorus. J Am Chem Soc (2008) 0.98
On the determination of the stereochemistry of semisynthetic natural product analogues using chiroptical spectroscopy: desulfurization of epidithiodioxopiperazine fungal metabolites. Chemistry (2011) 0.98
Mindless chemistry. J Phys Chem A (2006) 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
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
Structural reassignment of obtusallenes V, VI, and VII by GIAO-based density functional prediction. J Nat Prod (2008) 0.86
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
Successful computational modeling of isobornyl chloride ion-pair mechanisms. J Org Chem (2010) 0.86
A viable anionic N-heterocyclic dicarbene. J Am Chem Soc (2010) 0.85
The peculiar trend of cyclic perfluoroalkane electron affinities with increasing ring size. J Am Chem Soc (2005) 0.85
Neutral bishomoaromatic semibullvalenes. J Am Chem Soc (2003) 0.83
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
Infrared spectroscopy of the tert-butyl cation in the gas phase. J Am Chem Soc (2007) 0.82
Boron rings enclosing planar hypercoordinate group 14 elements. J Am Chem Soc (2007) 0.81
Are stone-wales defect sites always more reactive than perfect sites in the sidewalls of single-wall carbon nanotubes? J Am Chem Soc (2005) 0.81
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
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
Correlation of metal spin state with catalytic reactivity: polymerizations mediated by alpha-diimine-iron complexes. Angew Chem Int Ed Engl (2006) 0.80
Antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules: an apparent correlation of antiaromaticity with high symmetry. J Am Chem Soc (2004) 0.79
The 4,5,6-triphospha[3]radialene dianion: a phosphorus analogue of the deltate dianion. A NICS(0)(πzz) examination of their aromaticity. Chem Commun (Camb) (2012) 0.79
The geometry and electronic topology of higher-order charged Möbius annulenes. J Phys Chem A (2009) 0.79
A stable derivative of the global minimum on the Si6H6 potential energy surface. Angew Chem Int Ed Engl (2011) 0.79
Electrophile affinity: quantifying reactivity for the bromination of arenes. J Org Chem (2010) 0.79
Aromaticity rules for cycles with arbitrary numbers of half-twists. Phys Chem Chem Phys (2006) 0.79
Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene. Nat Chem (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
Delineating origins of stereocontrol in asymmetric Pd-catalyzed alpha-hydroxylation of 1,3-ketoesters. J Org Chem (2010) 0.78
On the chemistry of Zn-Zn bonds, RZn-ZnR (R = [{(2,6-Pri2C6H3)N(Me)C}2CH]): synthesis, structure, and computations. J Am Chem Soc (2005) 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
Aromatic transition states in nonpericyclic reactions: anionic 5-endo cyclizations are aborted sigmatropic shifts. J Am Chem Soc (2012) 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
Reaction of phenyl radicals with propyne. J Am Chem Soc (2002) 0.78
Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst. Org Lett (2011) 0.78
Planar hepta-, octa-, nona-, and decacoordinate first row d-block metals enclosed by boron rings. Inorg Chem (2009) 0.78
Description of aromaticity in porphyrinoids. J Am Chem Soc (2012) 0.77
Myriad planar hexacoordinate carbon molecules inviting synthesis. J Am Chem Soc (2007) 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
Ring currents in the dismutational aromatic Si6R6. Angew Chem Int Ed Engl (2010) 0.77
SPECTRa-T: machine-based data extraction and semantic searching of chemistry e-theses. J Chem Inf Model (2010) 0.76
Structural isomerization of the gas-phase 2-norbornyl cation revealed with infrared spectroscopy and computational chemistry. Angew Chem Int Ed Engl (2014) 0.76
A response to the critical comments on "One molecule, two atoms, three views, four bonds?". Angew Chem Int Ed Engl (2013) 0.75
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
Semantic physical science. J Cheminform (2012) 0.75
Coordination equilibria between seven- and five-coordinate iron(II) complexes. Inorg Chem (2013) 0.75
Bonding, aromaticity, and planar tetracoordinated carbon in Si2CH 2 and Ge 2CH 2. J Mol Model (2015) 0.75
Unusual regiodivergence in metal-catalysed intramolecular cyclisation of gamma-allenols. Chem Commun (Camb) (2009) 0.75
The aromaticity and Möbius characteristics of carbeno[8]heteroannulenes and triplet state annulenes. Chem Commun (Camb) (2002) 0.75
Low-valent Ge(2) and Ge(4) species trapped by N-heterocyclic gallylene. Angew Chem Int Ed Engl (2012) 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
Gallepins. Neutral gallium analogues of the tropylium ion: synthesis, structure, and aromaticity. J Am Chem Soc (2007) 0.75
Cleavage of carbene-stabilized disilicon. J Am Chem Soc (2011) 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
A perfectly square-planar tetracoordinated oxygen in a tetracopper cluster-based coordination polymer. J Am Chem Soc (2011) 0.75
A Hückel theory perspective on Möbius aromaticity. Org Lett (2013) 0.75
Surfing π clouds for noncovalent interactions: arenes versus alkenes. Angew Chem Int Ed Engl (2014) 0.75
The Cp*Si+ cation as a stoichiometric source of silicon. Chem Commun (Camb) (2012) 0.75
Carbene-stabilized diphosphorus: bidentate complexation of BH2(+). Chem Commun (Camb) (2011) 0.75
Communications: Infrared spectroscopy of gas phase C3H3+ ions: the cyclopropenyl and propargyl cations. J Chem Phys (2010) 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
A thiadiazole-fused N,N-dihydroquinoxaline: antiaromatic but isolable. Org Lett (2007) 0.75
Modeling dinitrogen activation by lithium: a mechanistic investigation of the cleavage of N2 by stepwise insertion into small lithium clusters. J Am Chem Soc (2009) 0.75
Diastereoselective reactions in glycine templates containing an ent-ardeemin fragment. J Org Chem (2002) 0.75
A metallocene-complexed dibismuthene: Cp2Zr(BiR)2 (Cp = C5H5; R = C6H3-2,6-Mes2). J Am Chem Soc (2005) 0.75
Studies in sigmatropic rearrangements of N-prenylindole derivatives--a formal enantiomerically pure synthesis of tryprostatin B. Org Biomol Chem (2006) 0.75
Increased reactivity of the *Cr(CO)3(C5Me5) radical with thiones versus thiols: a theoretical and experimental investigation. Inorg Chem (2003) 0.75
Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide--Favorskii manifold. Chem Commun (Camb) (2013) 0.75