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Magnetic criteria of aromaticity
This review describes the current state of magnetic criteria of aromaticity. The introduction
contains the fundamentals of ring currents in aromatic and antiaromatic systems, followed by …
contains the fundamentals of ring currents in aromatic and antiaromatic systems, followed by …
Aromaticity from the viewpoint of molecular geometry: application to planar systems
Following the history of organic chemistry, studies on relations between chemical (and later
physicochemical) properties and the structure of chemical species in question are the heart …
physicochemical) properties and the structure of chemical species in question are the heart …
Too persistent to give up: Aromaticity in boron clusters survives radical structural changes
o-C2B10H12 isomerizes to m-C2B10H12 upon heating at 400° C. Deboronation in o-
C2B10H12 is a relatively easy process, whereas it is more difficult in m-C2B10H12. These …
C2B10H12 is a relatively easy process, whereas it is more difficult in m-C2B10H12. These …
Nucleus-independent chemical shifts (NICS) as an aromaticity criterion
Z Chen, CS Wannere, C Corminboeuf, R Puchta… - Chemical …, 2005 - ACS Publications
Few concepts are as frequently used as aromaticity in the current chemical literature. 1 This
may be quantified by ca. 300 000 papers dealing with the aromatic properties of chemical …
may be quantified by ca. 300 000 papers dealing with the aromatic properties of chemical …
Which NICS aromaticity index for planar π rings is best?
H Fallah-Bagher-Shaidaei, CS Wannere… - Organic …, 2006 - ACS Publications
Five increasingly sophisticated aromaticity indexes, based on nucleus-independent
chemical shifts (NICS), were evaluated against a uniform set of aromatic stabilization …
chemical shifts (NICS), were evaluated against a uniform set of aromatic stabilization …
Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological …
Benzene is the emblematic example of an aromatic molecule, and the problem of its
structure has given rise to a chemical serial story running over several decades. The …
structure has given rise to a chemical serial story running over several decades. The …
Interrelation between H-bond and Pi-electron delocalization
L Sobczyk, SJ Grabowski, TM Krygowski - Chemical reviews, 2005 - ACS Publications
Among many various kinds of molecular interactions, the H-bond has a special position. The
term is ubiquitous in the world that surrounds us, but also it is often applied in different ways …
term is ubiquitous in the world that surrounds us, but also it is often applied in different ways …
The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
In this work, the aromatic fluctuation index FLU that describes the fluctuation of electronic
charge between adjacent atoms in a given ring is introduced as a new aromaticity measure …
charge between adjacent atoms in a given ring is introduced as a new aromaticity measure …
Energetic aspects of cyclic pi-electron delocalization: evaluation of the methods of estimating aromatic stabilization energies
MK Cyrański - Chemical reviews, 2005 - ACS Publications
In quantum mechanics the state of an electron is defined within the frame of probabilistic
theory. 1 The electrons of an isolated atom are confined to the space of this atom, which in …
theory. 1 The electrons of an isolated atom are confined to the space of this atom, which in …
Spherical aromaticity: recent work on fullerenes, polyhedral boranes, and related structures
Z Chen, RB King - Chemical Reviews, 2005 - ACS Publications
Aromaticity, 1 one of the most important concepts in chemistry, is confined not only to planar
twodimensional (2D) molecules but also can be extended to diverse structures of other …
twodimensional (2D) molecules but also can be extended to diverse structures of other …