Results 101 to 110 of about 12,581 (214)

New Mathematical Frameworks for Entire Topological Indices and Their Applications in Chemical Modeling

Journal of Mathematics
Topological indices are essential for encoding molecular information and have traditionally focused on the properties of individual atoms and their connections. In this work, we study and analyze the first and second entire Zagreb indices.
Buthinah A. Bin Dehaish, Anwar Saleh, Sarah Alraddadi   +2 more
doaj   +1 more source

Valency based novel quantitative structure property relationship (QSPR) approach for predicting physical properties of polycyclic chemical compounds

Scientific Reports
In this study, we introduce a novel valency-based index, the neighborhood face index (NFI), designed to characterize the structural attributes of benzenoid hydrocarbons.
Ali Raza, Mishal Ismaeel, Fikadu Tesgera Tolasa   +2 more
doaj   +1 more source

Molecular descriptors of benzenoid systems

Química Nova
Molecular descriptors are being widely used in QSAR/QSPR studies in chemistry and drug designing as well as modeling of compounds. Different topological descriptors have been formulated to investigate the physio chemical properties and chemical ...
Nazeran Idrees, Muhammad Nawaz Naeem, Fida Hussain, Afshan Sadiq, Muhammad Kamran Siddiqui   +4 more
doaj   +1 more source

Counting Kekule Structures of Benzenoid Paralelograms Containing One Aditional Benzenoid Ring

Croatica chemica acta, 2006
Formulas are given for counting Kekulé structures in a special class of benzenoids made up of benzenoid parallelograms to which a single benzene ring is added.
Vukičević, Damir, Lukovits, Istvan, Trinajstić, Nenad   +2 more
openaire   +2 more sources

Symmetry of benzenoid chains

Macedonian Journal of Chemistry and Chemical Engineering, 2006
Graph theory provides an elegant and natural representation of molecular symmetry and the resulting group expressed in terms of permutations is isomorphic to the permutation-inversion group of Longuet-Higgins.
Ahmad Gholami, Ali Reza Ashrafi, M. Ghorbani   +2 more
doaj  

Evaluation of three doses of urea applied to leaves, sprayed at pre-veraison and veraison, on Tempranillo must volatile composition over two seasons

Journal of Agriculture and Food Research
The volatile composition of grapes has a direct impact on the final aromatic composition of wine and plays a crucial role in determining its quality. Various factors, such as agronomic practices, climatic conditions or grape variety, can influence the ...
Rebeca Murillo-Peña, Teresa Garde-Cerdán, José María Martínez-Vidaurre   +2 more
doaj   +1 more source

Polansky's benzenoid character and the electron content of rings of benzenoid hydrocarbons

, 2005
Summary: In 2004 Balaban and Randić put forward a method to assess the \(\pi\)-electron content EC of rings of benzoid hydrocarbins. Much earlier, in the 1960s, Oskar Polansky conceived and elaborated the concept of benzenoid character \(\rho\) of the same rings.
Gutman, Ivan, Gojak, Sabina, Turkovic, Nedzad, Furtula, Boris   +3 more
openaire   +2 more sources

Modelling π-electron energy of benzenes via Zagreb psi indices. [PDF]

J Comput Aided Mol Des
Yamaç K.
europepmc   +1 more source

The effect of lateral π-extension on azulene-based molecules on surface studied by LT-STM. [PDF]

Sci Rep
Sarkar S, Khera N, Au-Yeung KH, Liu R, Ma J, Feng X, Moresco F.   +6 more
europepmc   +1 more source

Predictive power of parametric temperature based topological indices with applications in structure property modeling of anti tuberculosis drugs. [PDF]

Sci Rep
Hayat S, Alanazi SJF, Belay MB, Wang S.
europepmc   +1 more source