Published in J Am Chem Soc on August 22, 2013
On the large σ-hyperconjugation in alkanes and alkenes. J Mol Model (2014) 0.75
Predicting molecules--more realism, please! Angew Chem Int Ed Engl (2008) 3.44
Nucleus-independent chemical shifts (NICS) as an aromaticity criterion. Chem Rev (2005) 2.87
The concept of protobranching and its many paradigm shifting implications for energy evaluations. Chemistry (2007) 1.60
Besides N(2), What Is the Most Stable Molecule Composed Only of Nitrogen Atoms? Inorg Chem (1996) 1.38
The inherent competition between addition and substitution reactions of Br2 with benzene and arenes. Angew Chem Int Ed Engl (2011) 1.13
To what extent can aromaticity be defined uniquely? J Org Chem (2002) 1.11
A carbon-free sandwich complex [(P5)2Ti]2-. Science (2002) 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
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
Why are some (CH)4X6 and (CH2)6X4 polyheteroadamantanes so stable? Org Lett (2010) 0.85
Properties of fullerene[50] and D5h decachlorofullerene[50]: a computational study. J Am Chem Soc (2004) 0.83
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
On the stability of large [4n]annulenes. Org Lett (2003) 0.82
4n pi electrons but stable: N,N-dihydrodiazapentacenes. J Org Chem (2009) 0.82
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
Sigma-antiaromaticity in cyclobutane, cubane, and other molecules with saturated four-membered rings. Org Lett (2003) 0.80
The theoretical design of neutral planar tetracoordinate carbon molecules with C(C)(4) substructures. J Am Chem Soc (2002) 0.79
Homobenzene: homoaromaticity and homoantiaromaticity in cycloheptatrienes. J Phys Chem A (2008) 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
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
Do all-metal antiaromatic clusters exist? J Am Chem Soc (2003) 0.79
Starlike aluminum-carbon aromatic species. Chemistry (2010) 0.78
Aromaticity: the alternating C--C bond length structures of [14]-, [18]-, and [22]annulene. Angew Chem Int Ed Engl (2004) 0.78
Are antiaromatic rings stacked face-to-face aromatic? Org Lett (2007) 0.78
The Aromaticity of Polyphosphaphospholes Decreases with the Pyramidality of the Tricoordinate Phosphorus. Inorg Chem (1998) 0.78
Why the mechanisms of digermyne and distannyne reactions with H2 differ so greatly. J Am Chem Soc (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
[5]Pericyclynes Are Not Homoaromatic. J Org Chem (1996) 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
Planar pentacoordinate carbon in CAl5(+): a global minimum. J Am Chem Soc (2008) 0.77
Evaluation of triplet aromaticity by the isomerization stabilization energy. Org Lett (2013) 0.77
Open-shell singlet character of cyclacenes and short zigzag nanotubes. Org Lett (2007) 0.77
Cyclic boron clusters enclosing planar hypercoordinate cobalt, iron, and nickel. Inorg Chem (2008) 0.77
On the electronic structure and stability of icosahedral r-X2Z10H12 and Z12H(12)(2-) clusters; r = {ortho, meta, para}, X = {C, Si}, Z = {B, Al}. Phys Chem Chem Phys (2010) 0.77
Empirical corrections to density functional theory highlight the importance of nonbonded intramolecular interactions in alkanes. J Phys Chem A (2008) 0.77
Many M©B(n) boron wheels are local, but not global minima. Phys Chem Chem Phys (2012) 0.76
A "sea urchin" family of boranes and carboranes: the 6m + 2n electron rule. J Am Chem Soc (2003) 0.76
Designing metal-free catalysts by mimicking transition-metal pincer templates. Chemistry (2011) 0.76
Is C60 buckminsterfullerene aromatic? Phys Chem Chem Phys (2012) 0.76
Theoretical studies on the smallest fullerene: from monomer to oligomers and solid States. Chemistry (2004) 0.76
Al₂C monolayer: the planar tetracoordinate carbon global minimum. Nanoscale (2014) 0.76
Planar tetracoordinate carbon species involving beryllium substituents. Inorg Chem (2008) 0.76
On the large σ-hyperconjugation in alkanes and alkenes. J Mol Model (2014) 0.75
Nonamethylcyclopentyl cation rearrangement mysteries solved. Org Lett (2013) 0.75
[n]Imperilenes: stacked [n]trannulenes separated by planar cycloalkane rings. Org Lett (2011) 0.75
Spherical sila- and germa-homoaromaticity. J Am Chem Soc (2003) 0.75
Cyclopentadiene annulated polycyclic aromatic hydrocarbons: investigations of electron affinities. J Am Chem Soc (2003) 0.75
Why do two π-electron four-membered Hückel rings pucker? Org Lett (2012) 0.75
Fullerene anions of different sizes and shapes: a 13C NMR and density-functional study. J Org Chem (2003) 0.75
Aromaticity in Group 14 homologues of the cyclopropenylium cation. Chemistry (2011) 0.75
Aromaticity and relative stabilities of azines. Org Lett (2010) 0.75
Downfield proton chemical shifts are not reliable aromaticity indicators. Org Lett (2005) 0.75
Insertion of C50 into single-walled carbon nanotubes: Selectivity in interwall spacing and C50 isomers. J Comput Chem (2008) 0.75
2-Norbornyl ion-pair leakage in electrophilic addition of HCl to nortricyclene and norbornene. Org Lett (2009) 0.75
A persistent dipotassium 1,2,4-diazaphospholide radical complex: synthesis, X-ray structure, and bonding. Angew Chem Int Ed Engl (2010) 0.75
D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes. Phys Chem Chem Phys (2012) 0.75
Stability and aromaticity of the cyclopenta-fused pyrene congeners. J Am Chem Soc (2002) 0.75
Energetics and electronic structures of AlN nanotubes/wires and their potential application as ammonia sensors. Nanotechnology (2007) 0.75
Bay-type H···H "bonding" in cis-2-butene and related species: QTAIM versus NBO description. J Comput Chem (2014) 0.75
A Hückel theory perspective on Möbius aromaticity. Org Lett (2013) 0.75
A trimetallic fulvalene-bridged dizirconocene-gallium complex. Angew Chem Int Ed Engl (2007) 0.75
On the advantages of hydrocarbon radical stabilization energies based on R-H bond dissociation energies. J Org Chem (2011) 0.75
Reciprocal hydrogen bonding-aromaticity relationships. J Am Chem Soc (2014) 0.75
A theoretical and structural investigation of thiocarbon anions. J Org Chem (2003) 0.75
Why benchmark-quality computations are needed to reproduce 1-adamantyl cation NMR chemical shifts accurately. J Phys Chem A (2011) 0.75
Ring currents as probes of the aromaticity of inorganic monocycles : P5-, As5-, S2N2, S3N3-, S4N3+, S4N42+, S5N5+, S42+ and Se42+. Chemistry (2004) 0.75
Consistent aromaticity evaluations of methylenecyclopropene analogues. J Org Chem (2010) 0.75