Published in Chem Rev on October 01, 2005
Möbius aromaticity and antiaromaticity in expanded porphyrins. Nat Chem (2009) 1.60
Alternating syn-anti bacteriochlorophylls form concentric helical nanotubes in chlorosomes. Proc Natl Acad Sci U S A (2009) 1.41
Compactness aromaticity of atoms in molecules. Int J Mol Sci (2010) 1.20
The importance of being bonded. Nat Chem (2009) 1.00
Stabilization of anti-aromatic and strained five-membered rings with a transition metal. Nat Chem (2013) 0.94
Inverted sapphyrin: a new family of doubly N-confused expanded porphyrins. J Am Chem Soc (2006) 0.92
Dynamical behavior of Borospherene: A Nanobubble. Sci Rep (2015) 0.90
Zinc chlorins for artificial light-harvesting self-assemble into antiparallel stacks forming a microcrystalline solid-state material. Proc Natl Acad Sci U S A (2009) 0.87
In situ assembly of octahedral Fe(II) complexes for the enantiomeric excess determination of chiral amines using circular dichroism spectroscopy. J Am Chem Soc (2012) 0.87
UV-photoelectron spectroscopy of BN indoles: experimental and computational electronic structure analysis. J Am Chem Soc (2014) 0.86
6-Azahemiporphycene: a new member of the porphyrinoid family. Inorg Chem (2009) 0.85
Boron-substituted 1,3-dihydro-1,3-azaborines: synthesis, structure, and evaluation of aromaticity. Angew Chem Int Ed Engl (2013) 0.82
Nucleus-independent chemical shift criterion for aromaticity in π-extended tetraoxa[8]circulenes. J Mol Model (2012) 0.82
Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization. J Mol Model (2015) 0.80
Forty years of Clar's aromatic π-sextet rule. Front Chem (2013) 0.80
In situ NMR spectroscopy of supercapacitors: insight into the charge storage mechanism. J Am Chem Soc (2013) 0.80
Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes. J Mol Model (2015) 0.80
Electronic structures of bisnoradamantenyl and bisnoradamantanyl dications and related species. J Mol Model (2013) 0.79
Triphenylamine-based indoline derivatives for dye-sensitized solar cells: a density functional theory investigation. J Mol Model (2015) 0.79
The symmetric and asymmetric thiophene-fused benzocarborane: structures and first hyperpolarizabilities. J Mol Model (2013) 0.79
One lithium atom binding with P-nitroaniline: lithium salts or lithium electrides? J Mol Model (2015) 0.79
Variations of the tautomeric preferences and π-electron delocalization for the neutral and redox forms of purine when proceeding from the gas phase (DFT) to water (PCM). J Mol Model (2013) 0.78
Solvent impact on the aromaticity of benzene analogues: implicit versus explicit solvent approach. J Mol Model (2009) 0.78
Sigma- and pi- electron structure of aza-azoles. J Mol Model (2010) 0.78
Nuclear magnetic resonance of hydrogen molecules trapped inside C70 fullerene cages. Chemphyschem (2013) 0.77
Density functional studies on photophysical properties and chemical reactivities of the triarylboranes: effect of the constraint of planarity. J Mol Model (2013) 0.77
Towards the design of cyclooxygenase (COX) inhibitors based on 4',5 di-substituted biphenyl acetic acid molecules: a QSAR study with a new DFT based descriptor - nucleus independent chemical shift. J Mol Model (2009) 0.76
Aromatic and antiaromatic ring currents in a molecular nanoring. Nature (2016) 0.76
Computational investigation on MB n (M = Li-Cs, Be-Ba, Sc-La and Ti; n = 28 and 38). J Mol Model (2016) 0.76
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
A heuristic approach to evaluate peri interactions versus intermolecular interactions in an overcrowded naphthalene. IUCrJ (2017) 0.75
Synthesis of Functionalized 1,3,2-Benzodiazaborole Cores Using Bench-Stable Components. J Org Chem (2016) 0.75
Mechanism of the Swern oxidation: significant deviations from transition state theory. J Org Chem (2010) 0.75
Geometric consequences of electron delocalization for adenine tautomers in aqueous solution. J Mol Model (2014) 0.75
Thiamin Diphosphate Activation in 1-Deoxy-d-xylulose 5-Phosphate Synthase: Insights into the Mechanism and Underlying Intermolecular Interactions. J Phys Chem B (2016) 0.75
Influence of Ag(+) on the Magnetic Response of [2.2.2]Paracyclophane: NMR Properties of a Prototypical Organic Host for Cation Binding Based on DFT Calculations. ChemistryOpen (2015) 0.75
Substituent Effects in π-Stacking of Histidine on Functionalized-SWNT and Graphene. Comput Theor Chem (2015) 0.75
Why Aromaticity Is a Suspicious Concept? Why? Front Chem (2017) 0.75
Synthesis of aromatic aza-metallapentalenes from metallabenzene via sequential ring contraction/annulation. Sci Rep (2015) 0.75
Valence isomerization of cyclohepta-1,3,5-triene and its heteroelement analogues. Beilstein J Org Chem (2011) 0.75
Stacked antiaromatic porphyrins. Nat Commun (2016) 0.75
A six-carbon 10π-electron aromatic system supported by group 3 metals. Nat Commun (2013) 0.75
Quantification of thermal ring flexibilities of aromatic and heteroaromatic compounds. J Mol Model (2010) 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 tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums. Nat Commun (2016) 0.75
Differences between the elimination of early and late transition metals: DFT mechanistic insights into the titanium-catalyzed synthesis of pyrroles from alkynes and diazenes. Chem Sci (2016) 0.75
Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives. ChemistryOpen (2015) 0.75
Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character. Chem Sci (2016) 0.75
Theoretical studies on benzo[1,2,4]triazine-based high-energy materials. J Mol Model (2014) 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
Stability and molecular properties of the boron-nitrogen alternating analogs of azulene and naphthalene: a computational study. J Mol Model (2017) 0.75
Bonding, aromaticity, and planar tetracoordinated carbon in Si2CH 2 and Ge 2CH 2. J Mol Model (2015) 0.75
Theoretical study of structure, bonding, and electronic behavior of novel sandwich compounds M₃(C6R6)₂ (M = Ni, Pd, Pt; R = H, F). J Mol Model (2012) 0.75
Theoretical insights into thermal cyclophanediene to dihydropyrene electrocyclic reactions; a comparative study of Woodward Hoffmann allowed and forbidden reactions. J Mol Model (2016) 0.75
Endohedral metalloborofullerenes M@B44 (M = Ca, Sr, Ba): a computational investigation. J Mol Model (2016) 0.75
Natural bond orbital, nuclear magnetic resonance analysis and hybrid-density functional theory study of σ-aromaticity in Al₂F₆, Al₂Cl₆, Al₂Br₆ and Al₂I₆. J Mol Model (2013) 0.75
Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion. Chem Sci (2015) 0.75
From pure C₃₆ fullerene to cagelike nanocluster: a density functional study. J Mol Model (2013) 0.75
Theoretical study of the solvent effect on the aromaticity of benzene: a NICS analysis. J Mol Model (2014) 0.75
Computational quest for spherical C12B68 fullerenes with "magic" π-electrons and quasi-planar tetra-coordinated carbon. 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
5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents. Chem Sci (2014) 0.75
Theoretical studies on the stability of salts formed by 3-substituted 6-nitraminotetrazines with different cations. J Mol Model (2014) 0.75
The structure, properties, and nature of unconventional π halogen bond in the complexes of Al4(2-) and halohydrocarbons. J Mol Model (2011) 0.75
Analysis of anisotropic effects in trinuclear metal carbonyl compounds by visualization of through-space NMR shielding. J Mol Model (2010) 0.75
Effect of Alkali Metal Atoms Doping on Structural and Nonlinear Optical Properties of the Gold-Germanium Bimetallic Clusters. Nanomaterials (Basel) (2017) 0.75
Predicting molecules--more realism, please! Angew Chem Int Ed Engl (2008) 3.44
Gutmann donor and acceptor numbers for ionic liquids. Chemistry (2012) 2.12
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
Which NICS aromaticity index for planar pi rings is best? Org Lett (2006) 1.45
Accurate thermochemistry of hydrocarbon radicals via an extended generalized bond separation reaction scheme. J Phys Chem A (2012) 1.42
Besides N(2), What Is the Most Stable Molecule Composed Only of Nitrogen Atoms? Inorg Chem (1996) 1.38
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
The inherent competition between addition and substitution reactions of Br2 with benzene and arenes. Angew Chem Int Ed Engl (2011) 1.13
Thermodynamic and kinetic studies on reactions of Pt(II) complexes with biologically relevant nucleophiles. Inorg Chem (2006) 1.12
To what extent can aromaticity be defined uniquely? J Org Chem (2002) 1.11
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
H2O2 generation by decamethylferrocene at a liquid|liquid interface. Angew Chem Int Ed Engl (2008) 0.97
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
A carbon-free sandwich complex [(P5)2Ti]2-. Science (2002) 0.89
Transition-state effects of ionic liquids in substitution reactions of Pt(II) complexes. Angew Chem Int Ed Engl (2005) 0.89
To achieve stable spherical clusters: general principles and experimental confirmations. J Am Chem Soc (2006) 0.88
B4CO2: a new, observable sigma-pi diradical. J Am Chem Soc (2002) 0.88
Is cyclopropane really the sigma-aromatic paradigm? Chemistry (2009) 0.88
Four-electron oxygen reduction by tetrathiafulvalene. J Am Chem Soc (2011) 0.87
Homoconjugation/homoaromaticity in main group inorganic molecules. J Am Chem Soc (2009) 0.87
Interplay of pi-electron delocalization and strain in [n](2,7)pyrenophanes. J Org Chem (2008) 0.86
Double aromaticity in monocyclic carbon, boron, and borocarbon rings based on magnetic criteria. Chemistry (2007) 0.85
A density dependent dispersion correction. Chimia (Aarau) (2011) 0.85
Novel iron(III) porphyrazine complex. Complex speciation and reactions with NO and H2O2. Inorg Chem (2008) 0.85
Why are some (CH)4X6 and (CH2)6X4 polyheteroadamantanes so stable? Org Lett (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
2-Pyridinethiol/2-pyridinethione tautomeric equilibrium. A comparative experimental and computational study. J Org Chem (2002) 0.83
Properties of fullerene[50] and D5h decachlorofullerene[50]: a computational study. J Am Chem Soc (2004) 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 highly anharmonic BH5 potential energy surface characterized in the ab initio limit. J Chem Phys (2005) 0.82
The effect of perfluorination on the aromaticity of benzene and heterocyclic six-membered rings. J Phys Chem A (2009) 0.82
Hollow cages versus space-filling structures for medium-sized gold clusters: the spherical aromaticity of the Au50 cage. J Phys Chem A (2005) 0.82
Hierarchically structured microfibers of "single stack" perylene bisimide and quaterthiophene nanowires. ACS Nano (2013) 0.82
4n pi electrons but stable: N,N-dihydrodiazapentacenes. J Org Chem (2009) 0.82
On the stability of large [4n]annulenes. Org Lett (2003) 0.82
π-Depletion as a criterion to predict π-stacking ability. Chem Commun (Camb) (2012) 0.82
Octahedral and tetrahedral coinage metal clusters: is three-dimensional d-orbital aromaticity viable? Inorg Chem (2006) 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
Synthesis, structure, and dynamics of six-membered metallacoronands and metallodendrimers of iron and indium. Chemistry (2004) 0.81
Substitution behaviour of amine-bridged dinuclear Pt(II) complexes with bio-relevant nucleophiles. Dalton Trans (2008) 0.81
Aromaticity of tri- and tetranuclear metal-carbonyl clusters based on magnetic criteria. Chemistry (2007) 0.81
Comparative study of hydrogen adsorption on carbon and BN nanotubes. J Phys Chem B (2006) 0.80
Sigma-aromaticity and sigma-antiaromaticity in saturated inorganic rings. J Phys Chem A (2005) 0.80
Oxygen reduction catalyzed by a fluorinated tetraphenylporphyrin free base at liquid/liquid interfaces. J Am Chem Soc (2010) 0.80
Sigma-antiaromaticity in cyclobutane, cubane, and other molecules with saturated four-membered rings. Org Lett (2003) 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 theoretical design of neutral planar tetracoordinate carbon molecules with C(C)(4) substructures. J Am Chem Soc (2002) 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
Synthesis of Volatile Cyclic Silylamines and the Molecular Structures of Two 1-Aza-2,5-disilacyclopentane Derivatives. Inorg Chem (1997) 0.79
Substituent effects on "hyperconjugative" aromaticity and antiaromaticity in planar cyclopolyenes. Org Lett (2013) 0.79
Fluorescence sensing of caffeine in water with polysulfonated pyrenes. Chem Commun (Camb) (2011) 0.79
Homobenzene: homoaromaticity and homoantiaromaticity in cycloheptatrienes. J Phys Chem A (2008) 0.79
Why are perfluorocyclobutadiene and some other (CF)(n)(q) rings non-planar? Org Lett (2010) 0.79
Planar hypercoordinate carbons joined: wheel-shaped molecules with C-C axles. Angew Chem Int Ed Engl (2002) 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
Starlike aluminum-carbon aromatic species. Chemistry (2010) 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
[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
The proton nuclear magnetic shielding tensors in biphenyl: experiment and theory. J Magn Reson (2005) 0.78
Are antiaromatic rings stacked face-to-face aromatic? Org Lett (2007) 0.78
Aromaticity: the alternating C--C bond length structures of [14]-, [18]-, and [22]annulene. Angew Chem Int Ed Engl (2004) 0.78
Planar, twisted, and trans-bent: conformational flexibility of neutral diborenes. J Am Chem Soc (2008) 0.78
Thermodynamic and kinetic studies on novel dinuclear platinum(II) complexes containing bidentate N,N-donor ligands. Inorg Chem (2011) 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
Threading cesium ions: metal, host, and ligand control in supramolecular coordination chemistry. Angew Chem Int Ed Engl (2007) 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
Correlation effects on the relative stabilities of alkanes. J Am Chem Soc (2013) 0.78
The Aromaticity of Polyphosphaphospholes Decreases with the Pyramidality of the Tricoordinate Phosphorus. Inorg Chem (1998) 0.78
DNA binding properties, histidine interaction and cytotoxicity studies of water soluble ruthenium(ii) terpyridine complexes. Dalton Trans (2016) 0.77
Why the mechanisms of digermyne and distannyne reactions with H2 differ so greatly. J Am Chem Soc (2012) 0.77
Biphasic water splitting by osmocene. Proc Natl Acad Sci U S A (2012) 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
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
Is bis(trifluoromethylsulfonyl)amide an innocent anion? X-ray structure data and DFT calculations. Dalton Trans (2009) 0.77
Evaluation of triplet aromaticity by the isomerization stabilization energy. Org Lett (2013) 0.77
Planar pentacoordinate carbon in CAl5(+): a global minimum. J Am Chem Soc (2008) 0.77
Proton magnetic shielding tensors in benzene-from the individual molecule to the crystal. Angew Chem Int Ed Engl (2006) 0.77