Three queries about the HOMA index
JC Dobrowolski - ACS omega, 2019 - ACS Publications
HOMA (Harmonic Oscillator Model of Aromaticity) is a simple, successful, and widely used
geometrical aromaticity index. However, HOMA can also be used as a general molecular …
geometrical aromaticity index. However, HOMA can also be used as a general molecular …
Quantitative assessment of aromaticity and antiaromaticity utilizing vibrational spectroscopy
D Setiawan, E Kraka, D Cremer - The Journal of Organic …, 2016 - ACS Publications
Vibrational frequencies can be measured and calculated with high precision. Therefore, they
are excellent tools for analyzing the electronic structure of a molecule. In this connection, the …
are excellent tools for analyzing the electronic structure of a molecule. In this connection, the …
Structural modification and characteristics of lappaconitine alkaloid for the discovery of bioactive components by hypervalent iodine reagent
Lappaconitine, a diterpene alkaloid isolated from Aconitum sinomontanum Nakai, exhibits a
wide range of biological activities, making it a promising candidate for the development of …
wide range of biological activities, making it a promising candidate for the development of …
[HTML][HTML] Unraveling the strong coupling between graphene/nickel interface and atmospheric adsorbates for versatile realistic applications
During many synthesis processes and promising applications of Ni-based metals coated
with graphene (Gr) layers, the Gr/Ni interface closely contacts with various environmental …
with graphene (Gr) layers, the Gr/Ni interface closely contacts with various environmental …
Pyridine‐2(1H)‐thione as a Bifunctional Nucleophile in Reaction with PdII and PtII Aryl Isocyanide Complexes
RA Popov, AS Mikherdov… - European Journal of …, 2022 - Wiley Online Library
A method for obtaining C, S‐cyclometalated deprotonated diaminocarbene complexes via
the addition of a bifunctional N, S‐nucleophile's endocyclic nitrogen atom to a coordinated …
the addition of a bifunctional N, S‐nucleophile's endocyclic nitrogen atom to a coordinated …
Bond stretch isomerism in Be 3 2− driven by the Renner–Teller effect
We investigate the underlying principle behind the occurrence of bond stretch isomerism in
Be32−, which has not been revealed yet. Various computational studies of the different …
Be32−, which has not been revealed yet. Various computational studies of the different …
Aromaticity in the Light of Magnetic Criteria
M Homray, A Misra, PK Chattaraj - Current Organic Chemistry, 2017 - ingentaconnect.com
Magnetic criteria of aromaticity have been analyzed which are currently the most popular
methods, considering the circular delocalization of electrons as the genesis of aromaticity …
methods, considering the circular delocalization of electrons as the genesis of aromaticity …
N,N‐ and N,O‐6‐membered Ring peri‐Annelation in Naphthalene. Is it a Heteroring or merely a peri‐ Heterobridge?
D Tzeli, PG Tsoungas - ChemistrySelect, 2021 - Wiley Online Library
The effect of peri‐fusion on the aromaticity of 6‐membered N−, O−, N, N−, N, N, N− and N, O‐
doped naphthalene derivatives has been studied via NICS‐z,‐xz,‐xy, and‐xyz scans …
doped naphthalene derivatives has been studied via NICS‐z,‐xz,‐xy, and‐xyz scans …
Manifestation of exo-cyclic aromaticity in triangular heterocyclic X systems (X O, S, Se, NH)
Aromaticity is an important concept in chemistry which extends over a wide range of
molecular systems and imparts unique features to the molecules possessing it. In the …
molecular systems and imparts unique features to the molecules possessing it. In the …