PubRank

Henry S Rzepa

Author PubWeight™ 52.66‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data. J Chem Inf Model 2007 2.79
2 Chemical markup, XML, and the World Wide Web. 4. CML schema. J Chem Inf Comput Sci 2003 2.34
3 The nature of the fourth bond in the ground state of C2: the quadruple bond conundrum. Chemistry 2014 1.97
4 One molecule, two atoms, three views, four bonds? Angew Chem Int Ed Engl 2013 1.95
5 Enhancement of the chemical semantic web through the use of InChI identifiers. Org Biomol Chem 2005 1.77
6 Representation and use of chemistry in the global electronic age. Org Biomol Chem 2004 1.65
7 Quadruple bonding in C2 and analogous eight-valence electron species. Nat Chem 2012 1.62
8 Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions. J Chem Inf Model 2006 1.58
9 Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language. J Chem Inf Model 2008 1.51
10 SPECTRa: the deposition and validation of primary chemistry research data in digital repositories. J Chem Inf Model 2008 1.48
11 A computational evaluation of the evidence for the synthesis of 1,3-dimethylcyclobutadiene in the solid state and aqueous solution. Chemistry 2013 1.39
12 Chemical markup, XML, and the World Wide Web. 5. Applications of chemical metadata in RSS aggregators. J Chem Inf Comput Sci 2004 1.37
13 Chemistry in bioinformatics. BMC Bioinformatics 2005 1.18
14 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
15 CML: Evolution and design. J Cheminform 2011 1.10
16 Digital data repositories in chemistry and their integration with journals and electronic notebooks. J Chem Inf Model 2014 1.05
17 On the determination of the stereochemistry of semisynthetic natural product analogues using chiroptical spectroscopy: desulfurization of epidithiodioxopiperazine fungal metabolites. Chemistry 2011 0.98
18 A study in mauve: unveiling Perkin's dye in historic samples. Chemistry 2008 0.92
19 SemanticEye: a semantic web application to rationalize and enhance chemical electronic publishing. J Chem Inf Model 2006 0.92
20 A tricyclic aromatic isomer of hexasilabenzene. Science 2010 0.91
21 A computational investigation of the structure of polythiocyanogen. Dalton Trans 2008 0.90
22 Communication and re-use of chemical information in bioscience. BMC Bioinformatics 2005 0.89
23 Crocker, not Armit and Robinson, begat the six aromatic electrons. Chem Rev 2005 0.87
24 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
25 Structural reassignment of obtusallenes V, VI, and VII by GIAO-based density functional prediction. J Nat Prod 2008 0.86
26 Successful computational modeling of isobornyl chloride ion-pair mechanisms. J Org Chem 2010 0.86
27 N-heterocyclic carbene coordinated neutral and cationic heavier cyclopropylidenes. Angew Chem Int Ed Engl 2014 0.83
28 A global resource for computational chemistry. J Mol Model 2005 0.82
29 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
30 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
31 Contraction and expansion of the silicon scaffold of stable Si6R6 isomers. J Am Chem Soc 2012 0.80
32 Correlation of metal spin state with catalytic reactivity: polymerizations mediated by alpha-diimine-iron complexes. Angew Chem Int Ed Engl 2006 0.80
33 The geometry and electronic topology of higher-order charged Möbius annulenes. J Phys Chem A 2009 0.79
34 Aromaticity rules for cycles with arbitrary numbers of half-twists. Phys Chem Chem Phys 2006 0.79
35 A stable derivative of the global minimum on the Si6H6 potential energy surface. Angew Chem Int Ed Engl 2011 0.79
36 Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene. Nat Chem 2013 0.78
37 Delineating origins of stereocontrol in asymmetric Pd-catalyzed alpha-hydroxylation of 1,3-ketoesters. J Org Chem 2010 0.78
38 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
39 Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst. Org Lett 2011 0.78
40 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
41 Intrinsically chiral aromaticity. Rules incorporating linking number, twist, and writhe for higher-twist Möbius annulenes. J Am Chem Soc 2008 0.78
42 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
43 Ring currents in the dismutational aromatic Si6R6. Angew Chem Int Ed Engl 2010 0.77
44 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
45 SPECTRa-T: machine-based data extraction and semantic searching of chemistry e-theses. J Chem Inf Model 2010 0.76
46 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
47 A response to the critical comments on "One molecule, two atoms, three views, four bonds?". Angew Chem Int Ed Engl 2013 0.75
48 N-heteroatom substitution effect in 3-aza-cope rearrangements. Chem Cent J 2013 0.75
49 Semantic physical science. J Cheminform 2012 0.75
50 Surfing π clouds for noncovalent interactions: arenes versus alkenes. Angew Chem Int Ed Engl 2014 0.75
51 A Hückel theory perspective on Möbius aromaticity. Org Lett 2013 0.75
52 The aromaticity and Möbius characteristics of carbeno[8]heteroannulenes and triplet state annulenes. Chem Commun (Camb) 2002 0.75
53 Low-valent Ge(2) and Ge(4) species trapped by N-heterocyclic gallylene. Angew Chem Int Ed Engl 2012 0.75
54 Unusual regiodivergence in metal-catalysed intramolecular cyclisation of gamma-allenols. Chem Commun (Camb) 2009 0.75
55 Coordination equilibria between seven- and five-coordinate iron(II) complexes. Inorg Chem 2013 0.75
56 A multiply functionalized base-coordinated Ge(II) compound and its reversible dimerization to the digermene. Angew Chem Int Ed Engl 2014 0.75
57 The Cp*Si+ cation as a stoichiometric source of silicon. Chem Commun (Camb) 2012 0.75
58 Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide--Favorskii manifold. Chem Commun (Camb) 2013 0.75
59 Diastereoselective reactions in glycine templates containing an ent-ardeemin fragment. J Org Chem 2002 0.75
60 Studies in sigmatropic rearrangements of N-prenylindole derivatives--a formal enantiomerically pure synthesis of tryprostatin B. Org Biomol Chem 2006 0.75
61 Möbius bis and tris-spiroaromatic systems. Org Biomol Chem 2003 0.75
62 Foliacenes: ab initio modeling of metallocomplexes exhibiting a unique form of 16-electron, metal-induced aromaticity. J Am Chem Soc 2004 0.75
63 Enantiomerically pure alleno-acetylenic macrocycles: synthesis, solid-state structures, chiroptical properties, and electron localization function analysis. Chemistry 2010 0.75
64 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