| Rank |
Title |
Journal |
Year |
PubWeight™‹?› |
|
1
|
To what extent can aromaticity be defined uniquely?
|
J Org Chem
|
2002
|
1.11
|
|
2
|
Application of AIM parameters at ring critical points for estimation of pi-electron delocalization in six-membered aromatic and quasi-aromatic rings.
|
Chemistry
|
2007
|
0.95
|
|
3
|
(1Z,3Z)-1,4-Di(pyridin-2-yl)buta-1,3-diene-2,3-diol: the planar highly conjugated symmetrical enediol with multiple intramolecular hydrogen bonds.
|
J Org Chem
|
2002
|
0.92
|
|
4
|
Long-distance structural consequences of H-bonding. How H-bonding affects aromaticity of the ring in variously substituted aniline/anilinium/anilide complexes with bases and acids.
|
J Chem Inf Model
|
2007
|
0.88
|
|
5
|
H-bonded complexes of aniline with HF/F- and anilide with HF in terms of symmetry-adapted perturbation, atoms in molecules, and natural bond orbitals theories.
|
J Phys Chem A
|
2008
|
0.87
|
|
6
|
Super-delocalized valence isomer of coronene.
|
J Org Chem
|
2006
|
0.87
|
|
7
|
Are thermodynamic and kinetic stabilities correlated? A topological index of reactivity toward electrophiles used as a criterion of aromaticity of polycyclic benzenoid hydrocarbons.
|
J Chem Inf Model
|
2009
|
0.87
|
|
8
|
Interrelations between the mesomeric and electronegativity effects in para-substituted derivatives of phenol/phenolate and aniline/anilide H-bonded complexes: a DFT-based computational study.
|
J Phys Chem A
|
2009
|
0.86
|
|
9
|
Nonplanar aromatic compounds. 8. Synthesis, crystal structures, and aromaticity investigations of the 1,n-dioxa[n](2,7)pyrenophanes. How does bending affect the cyclic pi-electron delocalization of the pyrene system?
|
J Org Chem
|
2003
|
0.86
|
|
10
|
Extent of cyclic pi-electron delocalization modification in exocyclically substituted fulvenes.
|
J Org Chem
|
2002
|
0.84
|
|
11
|
Graph-topological approach to magnetic properties of benzenoid hydrocarbons.
|
Phys Chem Chem Phys
|
2009
|
0.81
|
|
12
|
Complexes of 4-substituted phenolates with HF and HCN: energy decomposition and electronic structure analyses of hydrogen bonding.
|
J Comput Chem
|
2012
|
0.80
|
|
13
|
An analysis of substituent effects in ethane derivatives: the quantum theory of atoms in molecules approach.
|
J Phys Chem A
|
2009
|
0.80
|
|
14
|
The phenalenyl motif: a magnetic chameleon.
|
Chemistry
|
2007
|
0.79
|
|
15
|
Why are the kinked polyacenes more stable than the straight ones? A topological study and introduction of a new topological index of aromaticity.
|
J Chem Inf Model
|
2008
|
0.78
|
|
16
|
How the shape of the NH2 group depends on the substituent effect and H-bond formation in derivatives of aniline.
|
J Phys Chem A
|
2007
|
0.78
|
|
17
|
Effect of the H-bonding on aromaticity of purine tautomers.
|
J Org Chem
|
2012
|
0.78
|
|
18
|
Influence of bond fixation in benzo-annulated N-salicylideneanilines and their ortho-C(=O)X derivatives (X = CH3, NH2, OCH3) on tautomeric equilibria in solution.
|
J Org Chem
|
2007
|
0.77
|
|
19
|
Tautomerisation of thymine acts against the Hückel 4N + 2 rule. The effect of metal ions and H-bond complexations on the electronic structure of thymine.
|
Org Biomol Chem
|
2014
|
0.76
|
|
20
|
Tautomeric equilibria and pi electron delocalization for some monohydroxyarenes--quantum chemical studies.
|
J Org Chem
|
2006
|
0.76
|
|
21
|
Toward a physical interpretation of substituent effects: the case of fluorine and trifluoromethyl groups.
|
J Org Chem
|
2014
|
0.76
|
|
22
|
Conjugation paths in monosubstituted 1,2- and 2,3-naphthoquinones.
|
J Phys Chem A
|
2011
|
0.75
|
|
23
|
Routes of π-electron delocalization in 4-substituted-1,2-benzoquinones.
|
J Org Chem
|
2010
|
0.75
|
|
24
|
Effect of the substituent and hydrogen bond on the geometry and electronic properties of OH and O(-) groups in para-substituted phenol and phenolate derivatives.
|
J Phys Chem A
|
2010
|
0.75
|
|
25
|
The effect of 5-substitution in the pyrimidine ring of dUMP on the interaction with thymidylate synthase: molecular modeling and QSAR.
|
Bioorg Med Chem
|
2007
|
0.75
|
|
26
|
Natural bond orbital approach to the transmission of substituent effect through the fulvene and benzene ring systems.
|
J Mol Model
|
2010
|
0.75
|
|
27
|
Effect of H-bonding and complexation with metal ions on the π-electron structure of adenine tautomers.
|
Org Biomol Chem
|
2013
|
0.75
|
|
28
|
Defining rules of aromaticity: a unified approach to the Hückel, Clar and Randić concepts.
|
Phys Chem Chem Phys
|
2010
|
0.75
|