Published in Org Lett on March 02, 2006
Stabilization of anti-aromatic and strained five-membered rings with a transition metal. Nat Chem (2013) 0.94
Nucleus-independent chemical shift criterion for aromaticity in π-extended tetraoxa[8]circulenes. J Mol Model (2012) 0.82
Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes. J Mol Model (2015) 0.80
Planar π-aromatic C3h B6H(3)(+) and π-antiaromatic C2h B8H2: boron hydride analogues of D3h C3H(3)(+) and D2h C4H4. J Mol Model (2012) 0.77
Syntheses and Promising Properties of Dense Energetic 5,5'-Dinitramino-3,3'-azo-1,2,4-oxadiazole and Its Salts. Angew Chem Int Ed Engl (2016) 0.75
Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums. Nat Commun (2016) 0.75
Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri- and tetrachlorothiophenes as well as corresponding radical cation forms as monomers for conducting polymers. Chem Cent J (2011) 0.75
Synthesis of aromatic aza-metallapentalenes from metallabenzene via sequential ring contraction/annulation. Sci Rep (2015) 0.75
Entropy versus aromaticity in the conformational dynamics of aromatic rings. J Mol Model (2012) 0.75
Aromaticity of azines through dyotropic double hydrogen transfer reaction. J Mol Model (2014) 0.75
Metal-metal bonding and aromaticity in [M2(NHCHNH)3]2 (μ-E)2 (E = O, S; M = Nb, Mo, Tc, Ru, Rh). J Mol Model (2016) 0.75
B30H8, B39H9(2-), B42H10, B48H10, and B72H12: polycyclic aromatic snub hydroboron clusters analogous to polycyclic aromatic hydrocarbons. J Mol Model (2012) 0.75
Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion. Chem Sci (2015) 0.75
Bonding, aromaticity, and planar tetracoordinated carbon in Si2CH 2 and Ge 2CH 2. J Mol Model (2015) 0.75
A new approach for aromaticity criterion based on electrostatic field gradient. J Mol Model (2010) 0.75
Theoretical studies on the stability of salts formed by 3-substituted 6-nitraminotetrazines with different cations. J Mol Model (2014) 0.75
Structure, aromaticity, stability, and energetic performance of the analogues and derivatives of s-heptazine. J Mol Model (2014) 0.75
A comparative study of the aromaticity of pyrrole, furan, thiophene, and their aza-derivatives. J Mol Model (2013) 0.75
DFT/TDDFT investigation on the chemical reactivities, aromatic properties, and UV-Vis absorption spectra of 1-butoxy-4-methoxybenzenepillar[5]arene constitutional isomers. J Mol Model (2016) 0.75
Theoretical study of the solvent effect on the aromaticity of benzene: a NICS analysis. J Mol Model (2014) 0.75
Stability and molecular properties of the boron-nitrogen alternating analogs of azulene and naphthalene: a computational study. J Mol Model (2017) 0.75
Structures and aromaticity of X(2)Y(2)(-) (X = C, Si, Ge and Y = N, P, As) anions. J Mol Model (2009) 0.75
Nucleus-independent chemical shifts (NICS) as an aromaticity criterion. Chem Rev (2005) 2.87
Gutmann donor and acceptor numbers for ionic liquids. Chemistry (2012) 2.12
A hierarchy of homodesmotic reactions for thermochemistry. J Am Chem Soc (2009) 1.77
Influence of the bridging ligand on the substitution behaviour of dinuclear Pt(II) complexes. An experimental and theoretical approach. Dalton Trans (2007) 1.61
The concept of protobranching and its many paradigm shifting implications for energy evaluations. Chemistry (2007) 1.60
Accurate thermochemistry of hydrocarbon radicals via an extended generalized bond separation reaction scheme. J Phys Chem A (2012) 1.42
How accurate are DFT treatments of organic energies? Org Lett (2007) 1.28
Strain and reactivity: electrophilic addition of bromine and tribromide salts to cyclic allenes. Chemistry (2002) 1.15
Thermodynamic and kinetic studies on reactions of Pt(II) complexes with biologically relevant nucleophiles. Inorg Chem (2006) 1.12
Phosphoramidite ligands in iridium-catalyzed allylic substitution. Chemistry (2006) 1.11
Systematic errors in computed alkane energies using B3LYP and other popular DFT functionals. Org Lett (2006) 1.03
A stable, neutral diborene containing a B=B double bond. J Am Chem Soc (2007) 1.02
Monocyclic boron carbonyls: novel aromatic compounds. J Am Chem Soc (2003) 0.99
Carbene-stabilized diphosphorus. J Am Chem Soc (2008) 0.98
H2O2 generation by decamethylferrocene at a liquid|liquid interface. Angew Chem Int Ed Engl (2008) 0.97
Mindless chemistry. J Phys Chem A (2006) 0.95
The magnetic shielding function of molecules and pi-electron delocalization. Chem Rev (2005) 0.94
How strained are carbomeric-cycloalkanes? J Phys Chem A (2010) 0.93
Evidence for d orbital aromaticity in square planar coinage metal clusters. J Am Chem Soc (2005) 0.93
Transition-state effects of ionic liquids in substitution reactions of Pt(II) complexes. Angew Chem Int Ed Engl (2005) 0.89
Four-electron oxygen reduction by tetrathiafulvalene. J Am Chem Soc (2011) 0.87
Crocker, not Armit and Robinson, begat the six aromatic electrons. Chem Rev (2005) 0.87
Successful computational modeling of isobornyl chloride ion-pair mechanisms. J Org Chem (2010) 0.86
Double aromaticity in monocyclic carbon, boron, and borocarbon rings based on magnetic criteria. Chemistry (2007) 0.85
Novel iron(III) porphyrazine complex. Complex speciation and reactions with NO and H2O2. Inorg Chem (2008) 0.85
A density dependent dispersion correction. Chimia (Aarau) (2011) 0.85
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
Ligand-controlled regiodivergent pathways of rhodium(III)-catalyzed dihydroisoquinolone synthesis: experimental and computational studies of different cyclopentadienyl ligands. Chemistry (2014) 0.84
Quantification of "fuzzy" chemical concepts: a computational perspective. Chem Soc Rev (2012) 0.84
Possible biotransformation reactions of polynuclear Pt(II) complexes. Inorg Chem (2007) 0.84
A multistep single-crystal-to-single-crystal bromodiacetylene dimerization. Nat Chem (2013) 0.83
Neutral bishomoaromatic semibullvalenes. J Am Chem Soc (2003) 0.83
2-Pyridinethiol/2-pyridinethione tautomeric equilibrium. A comparative experimental and computational study. J Org Chem (2002) 0.83
Direct assessment of electron delocalization using NMR chemical shifts. Angew Chem Int Ed Engl (2009) 0.82
Planar tetracoordinate carbon atoms centered in bare four-membered rings of late transition metals. Inorg Chem (2006) 0.82
The effect of perfluorination on the aromaticity of benzene and heterocyclic six-membered rings. J Phys Chem A (2009) 0.82
Infrared spectroscopy of the tert-butyl cation in the gas phase. J Am Chem Soc (2007) 0.82
4n pi electrons but stable: N,N-dihydrodiazapentacenes. J Org Chem (2009) 0.82
Hierarchically structured microfibers of "single stack" perylene bisimide and quaterthiophene nanowires. ACS Nano (2013) 0.82
π-Depletion as a criterion to predict π-stacking ability. Chem Commun (Camb) (2012) 0.82
Boron rings enclosing planar hypercoordinate group 14 elements. J Am Chem Soc (2007) 0.81
Octahedral and tetrahedral coinage metal clusters: is three-dimensional d-orbital aromaticity viable? Inorg Chem (2006) 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
Substitution behaviour of amine-bridged dinuclear Pt(II) complexes with bio-relevant nucleophiles. Dalton Trans (2008) 0.81
Synthesis, structure, and dynamics of six-membered metallacoronands and metallodendrimers of iron and indium. Chemistry (2004) 0.81
Water exchange on seven-coordinate Mn(II) complexes with macrocyclic pentadentate ligands: insight in the mechanism of Mn(II) SOD mimetics. Inorg Chem (2007) 0.81
Oxygen reduction catalyzed by a fluorinated tetraphenylporphyrin free base at liquid/liquid interfaces. J Am Chem Soc (2010) 0.80
Host-guest complexes of mixed glycol-bipyridine cryptands: prediction of ion selectivity by quantum chemical calculations, part V. Beilstein J Org Chem (2013) 0.80
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
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
Searching for stable, five-coordinate aquated Al(III) species. Water exchange mechanism and effect of pH. Inorg Chem (2007) 0.79
The geometry and electronic topology of higher-order charged Möbius annulenes. J Phys Chem A (2009) 0.79
Fluorescence sensing of caffeine in water with polysulfonated pyrenes. Chem Commun (Camb) (2011) 0.79
Electrophile affinity: quantifying reactivity for the bromination of arenes. J Org Chem (2010) 0.79
How are small endohedral silicon clusters stabilized? Phys Chem Chem Phys (2012) 0.79
Do all-metal antiaromatic clusters exist? J Am Chem Soc (2003) 0.79
Ligand-exchange processes on solvated lithium cations: DMSO and water/DMSO mixtures. Chemphyschem (2007) 0.78
Apparent or real water exchange reactions on [Zn(H2O)4(L)](2+)·2H2O (L = sp-nitrogen donor ligands)? A quantum chemical investigation. Dalton Trans (2012) 0.78
Thermodynamic and kinetic studies on novel dinuclear platinum(II) complexes containing bidentate N,N-donor ligands. Inorg Chem (2011) 0.78
Reaction of phenyl radicals with propyne. J Am Chem Soc (2002) 0.78
Aromatic transition states in nonpericyclic reactions: anionic 5-endo cyclizations are aborted sigmatropic shifts. J Am Chem Soc (2012) 0.78
Threading cesium ions: metal, host, and ligand control in supramolecular coordination chemistry. Angew Chem Int Ed Engl (2007) 0.78
Seven-coordinate iron complex as a ditopic receptor for lithium salts: study of host-guest interactions and substitution behavior. Inorg Chem (2007) 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
The proton nuclear magnetic shielding tensors in biphenyl: experiment and theory. J Magn Reson (2005) 0.78
[CpRu((R)-Binop-F)(H2O)][SbF6], a new fluxional chiral Lewis acid catalyst: synthesis, dynamic nmr, asymmetric catalysis, and theoretical studies. J Am Chem Soc (2004) 0.78
Planar, twisted, and trans-bent: conformational flexibility of neutral diborenes. J Am Chem Soc (2008) 0.78
Ligand-exchange processes on solvated zinc cations: water exchange on [Zn(H2O)4(L)]2+.2H2O (L=heterocyclic ligand). Chemistry (2010) 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
DNA binding properties, histidine interaction and cytotoxicity studies of water soluble ruthenium(ii) terpyridine complexes. Dalton Trans (2016) 0.77
Myriad planar hexacoordinate carbon molecules inviting synthesis. J Am Chem Soc (2007) 0.77
Investigation of a putative mobius aromatic hydrocarbon. The effect of benzannelation on mobius [4n]annulene aromaticity. J Am Chem Soc (2005) 0.77
Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinities. J Phys Chem A (2008) 0.77
Proton magnetic shielding tensors in benzene-from the individual molecule to the crystal. Angew Chem Int Ed Engl (2006) 0.77
Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems. Phys Chem Chem Phys (2015) 0.77
Is bis(trifluoromethylsulfonyl)amide an innocent anion? X-ray structure data and DFT calculations. Dalton Trans (2009) 0.77
Studies on an iron(iii)-peroxo porphyrin. Iron(III)-peroxo or iron(II)-superoxo? Dalton Trans (2010) 0.77
A ratiometric fluorescence sensor for caffeine. Org Biomol Chem (2012) 0.77
Biphasic water splitting by osmocene. Proc Natl Acad Sci U S A (2012) 0.77
Empirical corrections to density functional theory highlight the importance of nonbonded intramolecular interactions in alkanes. J Phys Chem A (2008) 0.77
Formation and study of single metal ion-phospholipid complexes in biphasic electrospray ionization mass spectrometry. Metallomics (2010) 0.77
Toward functional type III [Fe]-hydrogenase biomimics for H2 activation: insights from computation. Chemistry (2015) 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
Is C60 buckminsterfullerene aromatic? Phys Chem Chem Phys (2012) 0.76
Fast substitution reactions of Pt(II) in different ionic liquids. reactivity control by anionic components. Inorg Chem (2009) 0.76
Structure-correlation principles connecting ground state properties and reaction barrier heights for the Cope rearrangement of semibullvalenes. J Org Chem (2012) 0.76
Chelate electronic properties control the redox behaviour and superoxide reactivity of seven-coordinate manganese(II) complexes. Dalton Trans (2009) 0.76
Template and pH-mediated synthesis of tetrahedral indium complexes [Cs<{In4(L)4}]+ and [In4(H(N)L)4]4+: breaking the symmetry of N-centered C3 (L)3- to give neutral [In4(L)4]. Angew Chem Int Ed Engl (2008) 0.75
Reply to the Comment on the article "Gutmann donor and acceptor numbers for ionic liquids" (Chem. Eur. J. 2012, 18, 10969-10982) by J.-F. Gal and C. Laurence. Chemistry (2013) 0.75
Mechanistic investigation of the base-promoted cycloselenoetherification of pent-4-en-1-ol. J Mol Model (2010) 0.75
Mechanistic behaviour of alkylcobaloximes and imino-oxime complexes related to vitamin B(12). Dalton Trans (2009) 0.75